data_2e71_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 2e71 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.822 0.344 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 36.1 mmt -42.6 -61.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -44.9 -60.87 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -53.69 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -41.28 -40.06 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -63.47 -56.84 12.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 735' ' ' MET . 5.8 m-20 -56.41 -35.45 67.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -70.47 -65.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -50.96 -40.14 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -73.45 -44.69 57.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 735' ' ' MET . . . . . 0.461 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 38.7 ttp -54.38 -43.52 71.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 55.0 mtm -69.29 -47.17 65.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.01 -36.38 28.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -76.22 -44.42 37.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -55.06 -39.38 69.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt 50.57 45.25 26.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . 0.451 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 4.6 p90 -68.26 173.58 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -90.78 143.94 29.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -20.61 34.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.275 . . . . 0.0 112.361 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -60.69 -37.68 82.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -60.96 160.09 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 8.8 t -98.96 154.03 18.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 769' ' ' ARG . 11.6 t80 -52.74 -44.68 66.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.9 t -51.88 -52.94 46.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -58.52 -51.99 67.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -52.85 -49.64 65.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . 0.528 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -51.28 -57.28 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.91 94.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -55.79 -41.76 74.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . 0.471 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 71.1 m-70 -114.82 31.11 6.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . 0.552 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -77.14 -41.24 42.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -58.58 -26.01 63.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.1 t70 -61.21 102.91 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 758' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 757' ' ' ASP . 23.2 t -34.58 -59.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 12.5 mtm-85 -46.4 -51.94 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.552 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 6.7 t80 -51.56 -41.99 61.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -56.38 -34.48 66.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.94 -40.28 13.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 39.4 mm -86.28 94.17 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -96.63 -44.92 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -43.12 100.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 5.8 ttt -41.59 -53.91 3.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -50.69 -44.85 58.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -59.7 -44.33 93.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 747' ' ' PHE . 37.1 mtp180 -65.04 -52.05 58.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -59.97 -35.94 76.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -70.37 -60.37 2.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 36.0 mt -54.45 -39.93 67.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . 0.552 ' CE2' HG11 ' A' ' 777' ' ' VAL . 80.3 t80 -70.51 -52.67 20.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -47.31 -49.7 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -63.4 -45.29 91.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . 0.451 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 42.3 t80 -55.57 -54.74 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . 0.552 HG11 ' CE2' ' A' ' 773' ' ' PHE . 17.7 m -66.74 -38.45 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -54.41 -37.19 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -89.34 -36.94 15.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -53.25 -46.95 69.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 89.0 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.786 0.327 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 8.0 mmt -54.06 -63.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -43.95 -61.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -51.5 -60.1 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -45.95 -37.62 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -62.3 -50.75 70.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 735' ' ' MET . 0.9 OUTLIER -64.52 -29.03 70.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . 0.542 ' CD2' HD11 ' A' ' 772' ' ' LEU . 61.8 t80 -74.18 -61.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -50.49 -45.22 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -72.07 -37.51 69.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 735' ' ' MET . . . . . 0.483 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 11.2 tmm? -62.59 -32.05 72.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 43.8 mtm -79.01 -43.02 25.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.83 -32.84 74.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 739' ' ' ALA . 12.6 pt-20 -77.52 -49.0 15.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 738' ' ' GLU . . . -53.66 -30.2 42.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt 47.76 47.98 17.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . 0.548 ' CZ ' ' CD1' ' A' ' 776' ' ' PHE . 28.6 p90 -68.93 178.61 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -102.28 144.08 27.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -15.04 37.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -67.52 -24.61 65.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -72.3 147.58 46.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 14.7 t -98.84 146.17 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -41.17 -38.84 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 1.6 t -54.88 -54.4 43.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -69.78 -52.36 25.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . 0.406 ' CE1' ' CE1' ' A' ' 754' ' ' HIS . 24.0 t80 -48.46 -39.4 22.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -71.62 -54.61 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -54.6 -28.92 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -85.34 -61.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . 0.406 ' CE1' ' CE1' ' A' ' 750' ' ' PHE . 22.5 m-70 -62.45 -9.5 8.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . . . . . . . . . . . -59.05 -53.69 55.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -49.17 -21.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 758' ' ' SER . 11.0 t70 -76.76 102.6 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 758' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 757' ' ' ASP . 71.6 m -35.24 -61.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -39.2 -51.77 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 760' ' ' PHE . 4.8 t80 -54.59 -49.47 70.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -46.72 -28.71 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.95 -50.32 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 34.7 mm -83.37 94.71 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . 0.421 ' O ' ' NH2' ' A' ' 769' ' ' ARG . 11.1 pt-20 -82.96 -29.45 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -58.51 99.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.7 ttt -50.14 -41.02 48.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -58.58 -47.74 83.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.66 -49.46 77.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.421 ' NH2' ' O ' ' A' ' 764' ' ' GLU . 42.0 mtm180 -49.64 -52.83 27.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -58.54 -38.01 76.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -65.58 -63.02 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . 0.542 HD11 ' CD2' ' A' ' 732' ' ' PHE . 68.9 mt -54.45 -45.65 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -64.36 -43.1 95.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -56.99 -56.03 27.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -54.94 -44.45 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . 0.548 ' CD1' ' CZ ' ' A' ' 741' ' ' PHE . 9.5 t80 -56.32 -55.25 35.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 778' ' ' ALA . 33.2 m -64.66 -33.13 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . 0.409 ' N ' HG21 ' A' ' 777' ' ' VAL . . . -57.6 -47.0 83.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -81.46 -38.74 25.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -48.61 -51.22 29.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.833 0.349 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 16.8 mmt -55.2 -69.71 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -38.98 -60.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -49.61 -53.43 24.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -56.82 -34.65 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.3 -57.14 14.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.57 -31.75 66.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . 0.554 ' CD1' HG13 ' A' ' 763' ' ' ILE . 34.9 t80 -71.69 -67.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -45.31 -42.34 9.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -73.62 -39.79 64.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 54.0 ttp -60.37 -44.52 95.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 736' ' ' MET . . . . . 0.498 ' HE2' ' CE2' ' A' ' 732' ' ' PHE . 41.9 mtm -67.89 -44.45 76.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.63 -42.35 64.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.6 -51.28 44.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -54.46 -27.97 41.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 739' ' ' ALA . 0.1 OUTLIER 36.51 36.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -52.01 -178.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -93.76 144.22 27.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -31.14 21.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -55.99 -35.3 66.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -49.97 179.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 6.4 t -129.94 148.17 51.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.11 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -38.74 -51.09 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.6 t -49.29 -56.19 10.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -54.58 -54.57 39.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -50.77 -46.93 59.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 760' ' ' PHE . . . -57.52 -45.78 84.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -68.64 -32.76 72.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -61.03 -46.26 91.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -111.89 16.13 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 751' ' ' ALA . . . -55.77 -32.04 63.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -96.43 11.99 32.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 758' ' ' SER . 17.9 t0 -93.18 108.81 20.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 758' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 757' ' ' ASP . 4.6 m -36.9 -56.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 71.2 mmt-85 -50.82 -50.67 55.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 751' ' ' ALA . 29.3 t80 -53.81 -35.9 61.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -60.67 -29.86 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -55.2 -17.51 4.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 732' ' ' PHE . 25.8 mm -115.32 88.98 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -95.53 -39.16 10.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -44.11 98.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 12.3 ttt -43.42 -40.76 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -49.67 74.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.29 -40.21 95.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.431 ' CG ' HG22 ' A' ' 763' ' ' ILE . 41.9 mtp180 -65.57 -49.09 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.409 ' HG2' ' ND2' ' A' ' 774' ' ' ASN . 19.0 tt0 -65.56 -35.87 82.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -72.55 -68.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 40.7 mt -45.62 -39.03 7.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -73.84 -55.59 6.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . 0.409 ' ND2' ' HG2' ' A' ' 770' ' ' GLU . 62.0 m-20 -45.56 -46.17 14.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -66.39 -54.67 21.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -43.81 -54.75 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . . . . . . . . . 25.7 m -64.61 -35.12 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -57.18 -32.43 66.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -93.72 -44.68 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -49.58 -32.73 13.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 780' ' ' ALA . 32.6 mtp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 46.6 mt . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.827 0.346 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 5.7 mmt -55.25 -60.97 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -43.06 -60.4 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -51.34 -61.03 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -45.31 -40.51 7.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -57.68 -59.17 5.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 735' ' ' MET . 60.0 m-20 -50.23 -34.06 21.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -73.16 -65.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -45.74 -43.05 12.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . 0.437 ' HE3' ' N ' ' A' ' 734' ' ' LYS . 0.0 OUTLIER -74.25 -39.64 62.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 735' ' ' MET . . . . . 0.412 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 41.1 ttp -59.56 -46.03 90.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 36.5 mtm -68.69 -41.97 78.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -52.61 -45.01 66.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -69.66 -44.61 70.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -47.93 -34.7 9.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt 41.35 38.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -66.95 -178.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -95.86 144.08 27.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -3.32 11.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.236 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -77.99 -34.11 51.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -58.55 162.46 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 11.6 t -114.57 165.36 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 13.7 t80 -56.51 -35.32 67.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 6.4 t -55.4 -52.72 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -70.02 -55.47 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -44.96 -44.09 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -69.3 -53.75 18.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -52.2 -31.25 30.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -83.7 -63.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -58.95 -16.8 19.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . . . . . . . . . . . -47.98 -59.81 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -48.93 -24.35 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -71.48 102.9 2.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 758' ' ' SER . . . . . . . . . . . . . 46.3 m -38.92 -59.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 45.3 mtt85 -40.94 -51.3 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.67 -47.85 73.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -45.48 -33.1 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -47.36 -47.53 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 16.1 mm -76.55 92.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -83.01 -27.82 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -64.96 96.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 3.1 ttp -48.79 -42.17 34.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -60.12 -46.72 88.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.12 -46.83 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.464 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 60.5 mtm180 -56.07 -53.5 56.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.59 -29.98 66.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -72.87 -55.48 6.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 29.2 mt -63.47 -33.03 74.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -76.84 -37.14 56.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -62.59 -47.75 82.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 776' ' ' PHE . 12.2 pt-20 -68.73 -46.78 68.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . 0.406 ' N ' ' HG3' ' A' ' 775' ' ' GLU . 23.4 t80 -53.35 -55.65 23.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 778' ' ' ALA . 10.6 m -62.68 -40.95 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . 0.464 ' N ' HG22 ' A' ' 777' ' ' VAL . . . -54.06 -35.3 61.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -84.23 -43.56 14.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -48.45 -40.35 25.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.908 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -59.8 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -47.23 -51.71 17.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.49 -52.93 61.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -54.13 -33.16 57.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -66.12 -56.43 11.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 735' ' ' MET . 0.2 OUTLIER -54.83 -30.23 56.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -78.3 -62.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -49.97 -42.43 48.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -73.05 -42.24 63.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 735' ' ' MET . . . . . 0.418 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 9.3 tmm? -57.08 -49.37 76.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 736' ' ' MET . . . . . 0.509 ' HG2' ' CZ ' ' A' ' 750' ' ' PHE . 42.3 mtm -64.87 -43.29 93.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -51.63 -41.92 61.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -70.2 -45.58 66.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -57.42 -32.54 66.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 739' ' ' ALA . 18.3 ttpt 34.38 36.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 739' ' ' ALA . 4.8 p90 -55.11 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -94.29 144.0 27.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.594 0.711 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -11.65 31.29 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -67.06 -31.5 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -67.38 166.56 14.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 14.9 t -105.75 164.59 11.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -55.51 -39.53 70.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 7.3 t -63.69 -47.73 80.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.81 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -59.64 -44.92 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . 0.509 ' CZ ' ' HG2' ' A' ' 736' ' ' MET . 21.0 t80 -62.05 -49.62 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . 0.511 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -53.49 -60.27 3.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.095 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.45 34.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -45.8 -45.14 14.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . 0.543 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 10.0 m-70 -114.45 37.17 3.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . 0.567 ' HA ' ' CE1' ' A' ' 760' ' ' PHE . . . -86.69 -36.51 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -61.39 -27.27 68.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 758' ' ' SER . 36.9 t70 -60.54 102.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 758' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 757' ' ' ASP . 28.4 t -35.13 -59.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.847 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -44.56 -53.49 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 755' ' ' ALA . 1.3 t80 -52.02 -43.45 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -55.82 -32.77 63.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -42.47 -36.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 44.4 mm -96.55 97.71 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -97.49 -33.33 11.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -48.2 100.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 9.6 ttt -44.62 -44.66 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 767' ' ' LYS . 6.6 tmtt? -59.22 -48.14 82.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -62.01 -42.88 99.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -63.99 -46.0 86.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -65.31 -43.83 89.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -66.22 -65.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 41.3 mt -47.07 -44.07 20.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -67.58 -54.49 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -45.37 -51.89 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 776' ' ' PHE . 10.6 pt-20 -63.1 -39.97 96.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . 0.403 ' N ' ' HG3' ' A' ' 775' ' ' GLU . 62.3 t80 -54.83 -58.4 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 778' ' ' ALA . 34.7 m -59.27 -36.4 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . 0.46 ' N ' HG22 ' A' ' 777' ' ' VAL . . . -55.81 -43.4 76.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -83.92 -32.89 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -53.75 -41.07 66.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 75.2 mt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.841 0.353 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 46.3 mmm -63.41 -63.55 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -46.23 -39.0 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -71.19 -43.52 67.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -61.04 -32.16 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.26 -49.18 24.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -62.95 -24.49 67.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . 0.425 ' CE2' ' HE3' ' A' ' 736' ' ' MET . 35.8 t80 -77.44 -65.6 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 734' ' ' LYS . 8.6 ptpp? -49.66 -39.43 36.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 733' ' ' LYS . 68.6 mttt -73.77 -43.9 57.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 735' ' ' MET . . . . . 0.407 ' CE ' ' CD1' ' A' ' 732' ' ' PHE . 8.5 tmm? -57.7 -42.18 83.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 736' ' ' MET . . . . . 0.425 ' HE3' ' CE2' ' A' ' 732' ' ' PHE . 52.5 mtm -68.4 -47.62 66.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -50.25 -42.07 51.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -70.64 -45.89 64.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . 0.51 ' CB ' ' CE1' ' A' ' 754' ' ' HIS . . . -46.53 -32.15 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt 55.18 48.95 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 3.5 p90 -87.62 161.88 17.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -91.53 144.54 29.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -15.12 36.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -62.4 -39.83 94.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -57.63 144.4 37.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 8.6 t -82.67 143.14 31.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -38.62 -47.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 43.8 t -52.93 -52.91 56.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -58.93 -46.76 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -58.55 -62.15 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . 0.427 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -41.6 -53.26 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -67.97 -28.84 67.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . 0.401 ' HA ' ' CE ' ' A' ' 753' ' ' LYS . 0.0 OUTLIER -69.55 -37.2 76.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . 0.51 ' CE1' ' CB ' ' A' ' 739' ' ' ALA . 30.6 m-70 -116.76 31.73 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . 0.496 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -75.78 -39.79 56.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -59.9 -29.79 68.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.4 t70 -60.98 101.55 0.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 758' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 757' ' ' ASP . 11.8 t -35.5 -61.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -41.88 -53.87 3.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.496 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 5.0 t80 -51.89 -46.42 64.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -51.13 -37.6 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.21 -42.29 6.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 35.0 mm -84.34 96.49 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -99.58 -37.5 9.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -46.46 100.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 13.5 ttt -42.48 -41.7 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -62.23 -47.01 86.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.45 -41.06 96.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -65.46 -52.14 55.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 774' ' ' ASN . 15.4 tt0 -61.14 -35.01 75.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -75.12 -68.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . 0.409 HD11 ' CD2' ' A' ' 732' ' ' PHE . 47.7 mt -42.8 -42.19 3.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . 0.452 ' CZ ' HG12 ' A' ' 777' ' ' VAL . 66.5 t80 -68.84 -49.6 57.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 770' ' ' GLU . 77.1 m-20 -50.28 -41.03 50.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -67.63 -56.3 9.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -47.72 -56.34 7.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . 0.452 HG12 ' CZ ' ' A' ' 773' ' ' PHE . 25.6 m -61.4 -43.43 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . 0.414 ' N ' HG21 ' A' ' 777' ' ' VAL . . . -48.78 -42.96 37.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -81.86 -41.96 20.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -46.07 -45.22 16.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.923 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.1 mm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.811 0.339 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 9.2 mmt -56.85 -58.51 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.26 -55.32 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -57.25 -61.19 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -43.0 -39.73 2.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.06 -51.81 65.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . 0.449 ' OD1' ' C ' ' A' ' 731' ' ' ASP . 0.2 OUTLIER -57.75 -29.36 64.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . 0.509 ' CE2' ' HE1' ' A' ' 736' ' ' MET . 39.0 t80 -75.32 -69.21 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.42 -39.85 11.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -72.9 -41.67 64.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 26.4 ttp -56.8 -43.09 80.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 736' ' ' MET . . . . . 0.509 ' HE1' ' CE2' ' A' ' 732' ' ' PHE . 52.6 mtm -69.61 -46.23 66.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -48.29 -45.99 35.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -69.02 -46.55 67.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -43.85 -46.0 7.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt 62.93 42.9 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -77.29 176.19 9.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -101.25 143.95 27.6 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -5.88 17.28 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.252 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -77.35 -36.6 53.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -48.58 165.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.27 142.38 37.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -42.8 -49.33 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 1.3 t -48.76 -42.94 37.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.79 -65.31 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . 0.492 ' CE2' ' NE2' ' A' ' 754' ' ' HIS . 28.8 t80 -40.21 -41.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -70.68 -48.61 53.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -52.61 -38.53 60.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -79.92 -62.0 1.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . 0.492 ' NE2' ' CE2' ' A' ' 750' ' ' PHE . 30.1 m-70 -55.02 -21.42 12.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . . . . . . . . . . . -48.78 -56.97 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -53.83 -29.36 40.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 758' ' ' SER . 19.8 t0 -62.0 102.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 758' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 757' ' ' ASP . 15.5 m -34.63 -62.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -40.03 -54.22 2.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 760' ' ' PHE . 4.9 t80 -51.12 -47.95 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -48.41 -22.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -57.04 -38.44 73.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 43.1 mm -86.87 120.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 765' ' ' LYS . 1.6 tt0 -105.84 -58.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 764' ' ' GLU . 12.5 mmtp -36.64 111.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.29 -48.05 71.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -54.54 -34.93 62.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -68.22 -44.27 76.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -60.23 -50.89 71.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -68.67 -37.77 79.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -62.93 -66.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . 0.506 HD13 ' CD2' ' A' ' 732' ' ' PHE . 36.6 mt -49.49 -48.2 48.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -59.35 -41.52 89.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -60.58 -42.93 97.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.21 -55.17 20.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -47.33 -63.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . 0.425 ' CG2' ' N ' ' A' ' 778' ' ' ALA . 11.9 m -55.88 -43.71 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . 0.425 ' N ' ' CG2' ' A' ' 777' ' ' VAL . . . -48.14 -40.4 23.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -88.17 -35.67 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -52.99 -49.25 66.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.896 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 93.5 mt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.882 0.372 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 76.9 mtm -56.39 -59.46 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -48.04 -57.12 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -57.19 -63.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -44.11 -38.33 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -61.69 -50.01 74.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.99 -30.23 71.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.813 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . 0.427 ' CE2' ' HE2' ' A' ' 736' ' ' MET . 39.9 t80 -71.92 -64.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -47.6 -41.08 21.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -75.86 -37.68 58.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 735' ' ' MET . . . . . 0.42 ' HE2' ' CD1' ' A' ' 732' ' ' PHE . 49.1 ttp -60.65 -34.71 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 736' ' ' MET . . . . . 0.427 ' HE2' ' CE2' ' A' ' 732' ' ' PHE . 54.6 mtm -78.71 -47.69 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.79 -41.64 44.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -76.43 -48.65 18.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -38.47 -42.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp 61.91 43.35 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 5.9 p90 -78.93 177.31 8.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -103.98 143.97 27.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -7.38 20.93 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.706 2.27 . . . . 0.0 112.336 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 58.3 mmt-85 -79.11 -40.05 32.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -49.03 145.59 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 746' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 749' ' ' GLU . 7.9 t -86.37 135.54 33.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . 0.451 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 7.5 t80 -38.02 -43.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 26.1 t -52.22 -44.91 65.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 746' ' ' THR . 5.9 mt-10 -70.87 -54.49 11.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -50.86 -40.76 57.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -68.02 -50.08 57.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -56.82 -43.06 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -69.16 -55.14 11.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -66.94 -8.05 26.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . 0.516 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -54.78 -61.87 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -45.28 -28.95 0.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.1 t70 -62.93 101.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 758' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 757' ' ' ASP . 8.9 t -37.54 -56.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 759' ' ' ARG . 15.8 mmp_? -45.85 -49.38 15.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.516 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 13.1 t80 -55.74 -42.82 75.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -53.21 -17.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -65.52 -37.48 86.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 29.1 mm -90.29 113.75 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 766' ' ' MET . 1.4 tt0 -106.15 -47.13 3.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -39.46 94.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 766' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 764' ' ' GLU . 10.6 ttt -42.54 -48.04 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.827 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -53.85 -43.29 69.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -63.22 -40.22 96.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.451 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 49.5 mtt180 -56.73 -55.49 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -65.24 -32.69 74.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.86 -62.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 29.5 mt -54.33 -46.76 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -62.82 -40.55 97.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -59.34 -42.57 91.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.92 -62.91 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -39.29 -60.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . 0.43 ' CG2' ' N ' ' A' ' 778' ' ' ALA . 6.9 m -59.42 -43.07 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 777' ' ' VAL . . . -50.27 -40.91 49.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -90.49 -25.36 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -68.74 -35.71 77.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 16.1 mtm -53.47 -54.91 30.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -49.62 -59.3 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.31 -60.76 3.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -45.71 -41.22 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -58.45 -51.76 68.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -58.68 -28.51 65.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . 0.556 ' CE2' ' HE3' ' A' ' 736' ' ' MET . 17.0 t80 -76.63 -67.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -44.71 -39.73 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -76.01 -43.27 45.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 735' ' ' MET . . . . . 0.405 ' HE1' ' CD1' ' A' ' 732' ' ' PHE . 33.3 ttp -57.4 -42.92 83.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 736' ' ' MET . . . . . 0.556 ' HE3' ' CE2' ' A' ' 732' ' ' PHE . 56.1 mtm -70.48 -45.98 64.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -48.59 -43.89 36.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -73.31 -40.48 64.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -43.97 -43.99 6.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 61.1 mttt 57.23 47.03 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . 0.529 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 5.1 p90 -80.65 173.91 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.14 142.77 25.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -11.89 31.83 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.368 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 42.3 mmt-85 -85.06 0.5 51.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -80.37 166.4 21.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 746' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 748' ' ' SER . 2.3 t -107.91 131.67 54.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -38.5 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 748' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 746' ' ' THR . 16.0 m -65.57 -60.17 3.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -55.03 -44.25 74.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -59.98 -52.48 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 755' ' ' ALA . . . -51.95 -61.19 2.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -57.15 -54.91 41.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -49.93 -37.81 33.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 66.3 m-70 -113.37 26.41 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . 0.54 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -80.93 -34.69 33.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -69.53 -22.43 63.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.3 t70 -61.37 105.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 758' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 757' ' ' ASP . 11.9 t -34.83 -59.62 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -46.02 -53.32 10.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 754' ' ' HIS . 2.7 t80 -52.18 -41.66 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -60.11 -36.37 77.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.49 -29.94 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 10.5 mm -88.15 136.74 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -124.18 -59.71 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -39.33 114.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 8.1 ttt -55.69 -51.37 67.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 771' ' ' ALA . 0.9 OUTLIER -48.74 -35.75 14.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.94 -52.18 31.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -52.03 -51.0 60.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.61 -55.65 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 767' ' ' LYS . . . -45.21 -52.38 9.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 35.8 mt -59.39 -58.43 8.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -51.48 -34.53 36.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -61.54 -57.28 12.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -59.46 -37.27 77.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . 0.529 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 41.8 t80 -60.34 -59.83 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . . . . . . . . . 17.7 m -63.48 -40.85 90.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -52.36 -40.84 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -82.51 -46.27 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -44.83 -42.6 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.914 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 19.6 mm . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.845 0.355 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 726' ' ' MET . . . . . 0.4 ' HA ' ' NZ ' ' A' ' 729' ' ' LYS . 15.1 mtp -48.85 -52.15 25.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -38.54 -56.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.83 90.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . 0.4 ' NZ ' ' HA ' ' A' ' 726' ' ' MET . 5.2 mtmp? -61.6 -29.44 70.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -68.33 -54.54 16.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -60.93 -28.32 68.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . 0.569 ' CE2' ' HE3' ' A' ' 736' ' ' MET . 53.1 t80 -78.04 -61.87 1.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -51.36 -43.33 61.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -71.53 -38.76 71.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -60.99 -45.72 93.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 736' ' ' MET . . . . . 0.569 ' HE3' ' CE2' ' A' ' 732' ' ' PHE . 48.1 mtm -65.7 -43.66 88.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.02 -43.48 73.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -64.28 -50.17 68.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -59.68 -27.55 66.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 739' ' ' ALA . 5.6 ttpt 34.35 51.98 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . 0.512 ' CZ ' ' CE1' ' A' ' 773' ' ' PHE . 4.8 p90 -63.36 -179.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -92.76 144.0 27.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.596 0.713 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -13.37 34.54 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -69.3 -37.93 78.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -60.87 159.0 11.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 8.9 t -104.77 149.26 25.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 3.0 t80 -39.24 -40.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.6 t -56.91 -58.22 9.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 753' ' ' LYS . 37.5 mt-10 -54.22 -41.73 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 736' ' ' MET . 22.8 t80 -63.38 -43.73 96.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . 0.557 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -62.49 -57.49 11.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.8 93.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 749' ' ' GLU . 16.0 mmtp -61.78 -42.75 99.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 34.3 m-70 -108.56 27.93 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 751' ' ' ALA . . . -78.59 -33.13 47.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -66.07 -26.98 67.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 758' ' ' SER . 34.3 t70 -64.79 100.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 758' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 757' ' ' ASP . 1.9 m -34.91 -61.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -42.16 -54.21 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 751' ' ' ALA . 1.1 t80 -51.66 -45.96 63.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -52.99 -32.61 47.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -47.45 -35.79 9.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . 0.407 HG21 ' CG ' ' A' ' 769' ' ' ARG . 43.9 mm -88.44 92.7 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.58 -43.21 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -46.09 105.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -42.79 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -57.33 -37.06 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.11 -43.92 55.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.407 ' CG ' HG21 ' A' ' 763' ' ' ILE . 30.2 mtp180 -61.41 -48.41 81.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 774' ' ' ASN . 9.8 tt0 -70.14 -39.38 75.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.97 -61.03 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.52 -46.18 80.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . 0.512 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 76.1 t80 -65.78 -43.15 89.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 770' ' ' GLU . 50.5 m-20 -52.89 -56.16 17.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -60.03 -37.54 80.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -56.15 -61.65 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 778' ' ' ALA . 18.5 m -61.67 -34.37 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . 0.43 ' N ' HG21 ' A' ' 777' ' ' VAL . . . -56.9 -38.4 72.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -88.0 -39.08 14.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -49.97 -38.98 39.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 781' ' ' ARG . 3.9 ptm85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.854 0.359 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -55.77 30.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -52.79 -57.9 8.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -53.9 -55.17 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -51.38 -38.58 54.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -61.23 -56.0 25.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . 0.446 ' OD1' ' C ' ' A' ' 731' ' ' ASP . 0.6 OUTLIER -53.97 -31.0 49.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . 0.412 ' CE2' ' HE2' ' A' ' 736' ' ' MET . 30.5 t80 -73.38 -69.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -46.26 -38.55 8.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.19 -40.06 62.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 35.1 ttp -59.42 -41.67 90.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 736' ' ' MET . . . . . 0.412 ' HE2' ' CE2' ' A' ' 732' ' ' PHE . 71.1 mtm -69.97 -48.91 56.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -49.0 -42.9 39.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -68.73 -48.34 64.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -51.58 -45.78 63.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 62.47 43.07 8.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 8.2 p90 -67.93 178.93 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -102.58 144.03 27.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.655 0.741 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -19.42 36.08 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.246 . . . . 0.0 112.357 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 745' ' ' ALA . 0.3 OUTLIER -60.76 -38.0 83.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . 0.466 ' N ' ' HD3' ' A' ' 744' ' ' ARG . . . -60.98 168.11 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 6.4 t -108.46 154.64 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 8.8 t80 -52.43 -40.22 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 2.7 t -55.84 -57.89 10.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' A' ' 749' ' ' GLU . 0.0 OUTLIER -58.93 -52.4 65.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -51.23 -53.12 38.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 755' ' ' ALA . . . -49.81 -58.43 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -56.64 -42.16 78.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -59.08 -45.51 90.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 31.0 m-70 -108.0 27.89 8.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . 0.497 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -80.31 -27.72 38.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -22.59 57.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -60.61 112.34 1.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 758' ' ' SER . . . . . . . . . . . . . 60.1 m -40.91 -57.33 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -48.93 -46.88 43.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.497 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 4.3 t80 -57.64 -39.8 77.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -54.63 -21.73 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.8 89.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . 0.415 ' CG2' ' HG3' ' A' ' 769' ' ' ARG . 25.2 mm -90.69 79.77 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -82.23 -30.52 30.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.31 93.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -42.31 -47.04 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -51.27 -49.44 61.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.11 -34.93 77.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.548 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 53.9 mtm180 -65.73 -51.98 54.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -59.6 -42.23 92.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.56 -60.57 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 95.6 mt -55.32 -50.24 70.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . 0.447 ' CZ ' HG13 ' A' ' 777' ' ' VAL . 64.3 t80 -59.52 -44.05 93.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -51.03 -51.1 56.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -58.63 -54.73 43.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -46.06 -63.04 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . 0.447 HG13 ' CZ ' ' A' ' 773' ' ' PHE . 8.1 m -60.59 -35.58 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . 0.423 ' N ' HG21 ' A' ' 777' ' ' VAL . . . -54.16 -35.97 62.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -93.2 -41.63 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -47.97 -33.57 7.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 780' ' ' ALA . 26.2 mtp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.826 0.346 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 69.5 mtm -58.49 -60.79 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -40.72 -58.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -55.1 -62.39 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -43.27 -40.6 3.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -59.57 -58.3 9.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.97 -29.08 26.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . 0.515 ' CE2' ' HE2' ' A' ' 736' ' ' MET . 41.1 t80 -78.7 -66.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -48.23 -39.54 21.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -73.72 -43.81 58.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 8.4 tmm? -56.94 -48.7 77.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 736' ' ' MET . . . . . 0.515 ' HE2' ' CE2' ' A' ' 732' ' ' PHE . 44.0 mtm -64.89 -43.94 91.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -50.47 -43.75 55.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -68.65 -46.37 69.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -60.35 -33.5 72.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 739' ' ' ALA . 21.9 tttm 34.31 41.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -55.37 -177.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -93.25 143.44 26.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -10.24 28.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.272 . . . . 0.0 112.317 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 745' ' ' ALA . 1.9 ppt_? -65.87 -37.8 87.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . 0.413 ' N ' ' HD2' ' A' ' 744' ' ' ARG . . . -63.37 166.12 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 15.4 t -108.63 164.99 11.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 3.1 t80 -55.19 -46.75 75.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 1.4 t -53.17 -59.33 4.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.887 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.05 -42.23 68.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -61.18 -41.15 96.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 760' ' ' PHE . . . -61.24 -57.14 13.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.31 76.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -53.23 -42.75 66.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . 0.544 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 72.7 m-70 -110.34 25.78 11.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 751' ' ' ALA . . . -77.01 -31.17 56.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -73.22 -26.26 61.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 758' ' ' SER . 14.6 t70 -60.32 101.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 758' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 757' ' ' ASP . 18.0 m -34.51 -61.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -44.63 -53.35 7.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 754' ' ' HIS . 2.6 t80 -52.03 -43.3 63.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -54.58 -33.4 60.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -41.44 -38.42 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 8.2 mm -91.86 104.42 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.37 -33.38 10.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -56.93 92.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 14.7 ttt -42.38 -43.35 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -52.65 -50.48 63.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -39.7 84.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.558 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 62.8 mtm180 -59.83 -54.44 46.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -57.47 -41.74 81.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -68.63 -66.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 29.9 mt -48.93 -36.68 17.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . 0.452 ' CZ ' HG12 ' A' ' 777' ' ' VAL . 89.2 t80 -74.05 -50.14 21.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -50.52 -44.09 56.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -67.28 -58.49 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -43.51 -64.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . 0.452 HG12 ' CZ ' ' A' ' 773' ' ' PHE . 20.5 m -50.92 -47.28 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . 0.452 ' N ' HG21 ' A' ' 777' ' ' VAL . . . -47.28 -41.58 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -82.42 -40.41 21.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -47.45 -52.43 17.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.901 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.815 0.341 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.98 -58.28 9.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -46.12 -53.65 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . 0.447 ' HB1' ' CB ' ' A' ' 762' ' ' ALA . . . -57.68 -59.02 5.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -44.9 -42.29 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.14 -55.47 34.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 735' ' ' MET . 21.1 m-20 -52.77 -37.58 59.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . 0.484 ' CD2' HD12 ' A' ' 772' ' ' LEU . 46.2 t80 -69.96 -63.7 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -50.74 -40.38 54.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -75.39 -44.26 45.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 735' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 39.9 ttp -58.46 -38.62 77.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 736' ' ' MET . . . . . 0.483 ' HE1' ' CE2' ' A' ' 732' ' ' PHE . 44.6 mtm -71.44 -48.29 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -50.34 -40.25 48.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 739' ' ' ALA . 19.2 mt-10 -78.66 -44.32 24.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 738' ' ' GLU . . . -34.56 -40.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp 61.41 41.51 12.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 4.7 p90 -83.3 172.25 12.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -96.4 143.79 26.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.08 3.89 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.287 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -88.89 -38.42 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -44.24 149.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 11.8 t -92.35 139.89 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -43.48 -47.19 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.0 t -48.17 -40.09 22.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.27 -63.96 1.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . 0.461 ' CE2' ' NE2' ' A' ' 754' ' ' HIS . 17.4 t80 -43.26 -44.51 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -69.24 -51.28 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -54.1 -35.04 61.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -80.33 -63.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 760' ' ' PHE . 27.9 m-70 -52.08 -30.41 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . 0.535 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -40.89 -67.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -41.11 -30.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 758' ' ' SER . 7.4 t0 -70.58 103.37 2.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 758' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 757' ' ' ASP . 15.1 m -34.76 -61.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -38.92 -52.83 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 754' ' ' HIS . 18.7 t80 -53.21 -49.75 66.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 762' ' ' ALA . 39.9 mtpt -44.05 -37.59 3.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . 0.447 ' CB ' ' HB1' ' A' ' 728' ' ' ALA . . . -36.87 -42.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.066 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . 0.468 HG21 ' CG ' ' A' ' 769' ' ' ARG . 46.8 mm -82.48 92.87 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -82.55 -54.6 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -46.7 107.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 3.4 ttt -50.71 -51.32 50.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 767' ' ' LYS . 0.0 OUTLIER -46.43 -40.53 12.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.78 -48.17 69.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.468 ' CG ' HG21 ' A' ' 763' ' ' ILE . 48.0 mtp180 -49.08 -55.96 10.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -62.75 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -56.24 -66.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . 0.484 HD12 ' CD2' ' A' ' 732' ' ' PHE . 40.0 mt -45.91 -58.73 3.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -52.83 -61.84 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -39.54 -43.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -69.08 -57.74 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 776' ' ' PHE . 4.6 t80 -44.12 -52.1 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . . . . . . . . . 28.7 m -67.77 -32.97 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -56.01 -37.63 69.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.162 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -88.18 -42.07 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -57.56 -52.51 65.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 780' ' ' ALA . 12.7 ptm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 55.1 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.817 0.342 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 30.7 mtm -58.99 -62.84 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -44.28 -54.31 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.41 -51.68 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -56.11 -32.26 64.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.72 -55.94 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 732' ' ' PHE . 1.0 OUTLIER -52.46 -38.88 60.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . 0.494 ' CE1' ' NH2' ' A' ' 769' ' ' ARG . 11.5 t80 -70.98 -72.47 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -43.07 -36.36 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -77.66 -47.21 19.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 28.9 ttp -55.65 -38.89 70.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 736' ' ' MET . . . . . 0.481 ' HE2' ' CE2' ' A' ' 732' ' ' PHE . 58.6 mtm -72.62 -51.46 19.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -45.17 -41.69 8.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.61 -43.41 55.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -48.96 -22.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 739' ' ' ALA . 6.1 mtpm? 36.01 49.72 0.62 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 4.9 p90 -79.72 163.03 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -83.44 142.34 43.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -16.43 37.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.307 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -67.22 -34.16 76.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -53.15 169.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 36.8 p -110.32 157.0 19.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -54.52 -42.67 71.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 11.1 t -54.84 -56.42 19.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -58.13 6.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -52.04 -44.94 64.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -55.63 -40.67 72.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -79.21 -23.9 43.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -64.45 -52.55 57.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -105.47 18.24 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . . . . . . . . . . . -55.38 -37.9 68.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -95.92 20.11 10.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 757' ' ' ASP . 20.5 t0 -100.16 108.51 20.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 758' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 757' ' ' ASP . 30.4 t -36.49 -59.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . 0.425 ' CD ' ' HB2' ' A' ' 731' ' ' ASP . 9.5 mmt180 -47.78 -50.28 26.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.645 ' CE2' ' NH2' ' A' ' 769' ' ' ARG . 0.9 OUTLIER -54.39 -40.42 68.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -59.42 -29.16 67.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -42.7 -32.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . 0.416 ' HB ' ' NH1' ' A' ' 769' ' ' ARG . 6.6 mm -112.62 82.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 765' ' ' LYS . 6.9 pt-20 -78.04 -38.35 44.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 764' ' ' GLU . 27.6 mttm -48.28 94.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -41.42 -54.81 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -50.22 -47.85 54.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -61.52 -34.24 75.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.645 ' NH2' ' CE2' ' A' ' 760' ' ' PHE . 28.3 mtp85 -66.28 -54.78 20.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -54.77 -36.96 65.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -68.45 -66.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 51.3 mt -49.31 -39.68 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -69.62 -47.09 64.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -53.3 -42.51 66.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -68.33 -58.13 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 776' ' ' PHE . 11.0 t80 -44.52 -62.21 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . 0.422 ' CG2' ' N ' ' A' ' 778' ' ' ALA . 16.6 m -55.55 -44.84 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . 0.422 ' N ' ' CG2' ' A' ' 777' ' ' VAL . . . -51.03 -32.43 21.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.037 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -86.82 -38.4 16.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.05 83.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -179.871 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 31.4 mtp -46.19 -63.07 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -41.64 -55.4 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.67 -58.74 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -47.28 -39.03 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.82 -52.66 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . 0.454 ' HB3' ' CG ' ' A' ' 759' ' ' ARG . 9.3 m-20 -55.18 -32.53 62.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . 0.483 ' CD1' ' HE1' ' A' ' 735' ' ' MET . 53.0 t80 -78.58 -65.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . 0.451 ' HD2' ' CG ' ' A' ' 734' ' ' LYS . 0.0 OUTLIER -49.08 -37.93 22.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . 0.451 ' CG ' ' HD2' ' A' ' 733' ' ' LYS . 21.0 mttm -75.12 -41.99 57.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 735' ' ' MET . . . . . 0.483 ' HE1' ' CD1' ' A' ' 732' ' ' PHE . 7.7 tmm? -56.49 -38.78 72.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 736' ' ' MET . . . . . 0.45 ' HE3' ' CE2' ' A' ' 732' ' ' PHE . 50.5 mtm -73.56 -51.7 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -44.86 -41.56 7.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -76.48 -40.71 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -50.25 -37.44 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt 53.04 45.86 27.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -75.12 179.69 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -104.1 142.15 24.0 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -12.82 33.8 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -65.37 -40.01 93.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -60.75 144.56 52.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 8.8 t -82.64 163.94 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -57.93 -41.96 83.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 43.1 t -57.06 -55.09 39.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -58.08 -47.58 82.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.98 -39.27 88.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 755' ' ' ALA . . . -59.58 -58.78 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.054 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.4 66.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -49.87 -41.99 46.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . 0.54 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 14.8 m-70 -117.22 39.57 3.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . 0.567 ' HA ' ' CE1' ' A' ' 760' ' ' PHE . . . -93.44 -30.75 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -70.12 -18.06 63.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 758' ' ' SER . 8.3 t70 -66.02 107.31 1.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 758' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 757' ' ' ASP . 35.7 m -35.15 -60.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . 0.454 ' CG ' ' HB3' ' A' ' 731' ' ' ASP . 0.0 OUTLIER -45.37 -52.98 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 755' ' ' ALA . 0.6 OUTLIER -51.88 -42.76 62.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -54.33 -30.96 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -43.41 -44.28 5.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 29.8 mm -79.71 116.09 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -105.62 -60.6 1.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -45.74 121.28 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 7.8 ttt -55.69 -55.97 25.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -40.61 -42.8 1.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -66.49 -50.07 64.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -50.94 -54.86 20.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -64.39 -40.11 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -57.58 -68.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 44.0 mt -48.2 -55.9 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . 0.439 ' CE2' HG12 ' A' ' 777' ' ' VAL . 84.2 t80 -52.25 -42.32 63.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -59.27 -42.81 92.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -65.38 -56.25 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 776' ' ' PHE . 4.4 t80 -48.91 -60.56 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . 0.439 HG12 ' CE2' ' A' ' 773' ' ' PHE . 17.0 m -57.88 -37.58 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -53.87 -40.42 66.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -85.6 -49.74 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -45.88 -50.74 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.901 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 73.2 mt . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.865 0.364 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 10.0 mmt -58.38 -51.12 71.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -46.21 -61.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -57.54 -62.51 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -43.21 -37.88 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.89 -53.09 59.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 735' ' ' MET . 75.8 m-20 -54.78 -40.27 69.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . 0.539 ' CE2' ' HE2' ' A' ' 736' ' ' MET . 57.1 t80 -70.24 -64.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -48.19 -45.9 34.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -71.54 -39.68 70.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 735' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 9.0 tmm? -58.69 -45.21 89.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 736' ' ' MET . . . . . 0.539 ' HE2' ' CE2' ' A' ' 732' ' ' PHE . 39.1 mtm -67.47 -43.4 81.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -54.29 -38.42 65.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.13 -48.83 49.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -51.07 -40.34 58.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 28.5 mttm 53.87 42.42 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . 0.405 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 5.7 p90 -63.87 179.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -93.73 144.0 27.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.608 0.718 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -6.54 18.84 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.735 2.29 . . . . 0.0 112.32 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -77.32 -39.7 46.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -55.32 142.41 32.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.52 157.71 19.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 2.4 t80 -53.03 -47.64 68.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 34.5 t -50.59 -51.68 46.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.96 -48.61 81.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . 0.407 ' CZ ' ' SD ' ' A' ' 736' ' ' MET . 24.1 t80 -54.38 -58.02 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 760' ' ' PHE . . . -51.53 -60.48 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -53.67 -62.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -48.89 -36.88 18.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 13.3 m-70 -110.25 30.4 6.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . 0.53 ' HA ' ' CE1' ' A' ' 760' ' ' PHE . . . -83.99 -29.27 27.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -70.23 -27.11 64.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -60.98 106.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 758' ' ' SER . . . . . . . . . . . . . 6.6 p -41.66 -59.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -45.75 -45.78 14.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 754' ' ' HIS . 3.0 t80 -61.08 -42.89 99.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -52.78 -22.08 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -50.3 -40.99 50.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 14.1 mm -88.62 95.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -87.75 -45.84 9.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -53.16 101.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 4.2 ttt -44.84 -48.32 11.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -48.69 -46.63 40.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -35.42 81.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.556 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 37.8 mtm180 -64.0 -52.79 57.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.33 -40.94 94.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -59.31 -59.84 4.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 32.0 mt -59.88 -45.59 92.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -64.58 -29.78 70.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -65.39 -54.33 30.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.04 -39.94 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . 0.405 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 43.3 t80 -55.22 -61.18 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . . . . . . . . . 13.2 m -61.99 -36.78 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -54.84 -37.28 65.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -90.39 -37.99 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -52.95 -33.46 51.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 780' ' ' ALA . 29.3 mtp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 35.2 mm . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.816 0.341 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 16.5 mmt -62.99 -63.94 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -39.83 -57.39 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.58 -55.64 32.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -49.84 -34.55 20.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -68.46 -57.77 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . 0.416 ' HB3' ' CG ' ' A' ' 759' ' ' ARG . 0.6 OUTLIER -57.8 -27.38 63.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . 0.516 ' CE2' ' HE2' ' A' ' 736' ' ' MET . 57.3 t80 -76.9 -65.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -49.92 -37.92 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -74.89 -40.75 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 34.7 ttp -59.2 -34.88 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 736' ' ' MET . . . . . 0.516 ' HE2' ' CE2' ' A' ' 732' ' ' PHE . 67.4 mtm -75.95 -51.03 13.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -48.29 -41.62 28.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -76.44 -39.75 52.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -44.91 -30.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp 49.71 46.93 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . 0.578 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 7.3 p90 -86.12 173.14 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' A' ' 744' ' ' ARG . 24.3 p-10 -99.93 144.05 27.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.638 0.732 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.85 27.21 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . 0.461 ' HB2' ' ND2' ' A' ' 742' ' ' ASN . 30.3 mtp85 -53.4 -35.99 60.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -55.21 175.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 15.1 t -118.24 159.47 23.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -50.43 -40.07 49.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.0 t -59.26 -58.53 8.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -53.9 -46.97 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -57.02 -51.86 67.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . 0.551 ' HA ' ' CE1' ' A' ' 760' ' ' PHE . . . -54.2 -44.41 71.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -67.82 -35.91 79.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -56.59 -52.51 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 58.0 m-70 -106.93 26.78 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . 0.454 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -67.53 -15.69 63.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -110.5 17.93 20.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 758' ' ' SER . 47.6 t0 -105.99 112.96 26.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 758' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 757' ' ' ASP . 4.8 m -36.7 -57.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . 0.416 ' CG ' ' HB3' ' A' ' 731' ' ' ASP . 2.2 mpt_? -47.75 -50.16 26.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.551 ' CE1' ' HA ' ' A' ' 751' ' ' ALA . 54.8 t80 -53.91 -39.97 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -60.99 -34.73 75.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.06 -24.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.062 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . 0.478 HG13 ' CG ' ' A' ' 732' ' ' PHE . 41.2 mm -111.23 88.81 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.16 -36.4 10.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 766' ' ' MET . 66.6 mttt -53.8 102.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 766' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 765' ' ' LYS . 21.6 ttt -34.56 -69.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 768' ' ' ASP . 17.8 ptpt -39.06 -43.84 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 767' ' ' LYS . 10.5 t0 -64.74 -48.76 73.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -59.53 -54.44 46.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -63.99 -28.04 69.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -74.68 -68.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . 0.444 HD12 ' CD2' ' A' ' 732' ' ' PHE . 39.4 mt -47.13 -40.34 15.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . 0.477 ' CZ ' HG12 ' A' ' 777' ' ' VAL . 85.2 t80 -69.3 -51.09 40.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -47.18 -50.21 21.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.14 -60.69 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . 0.578 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 6.9 t80 -40.11 -60.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . 0.477 HG12 ' CZ ' ' A' ' 773' ' ' PHE . 7.6 m -62.06 -41.91 92.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . 0.467 ' N ' HG21 ' A' ' 777' ' ' VAL . . . -47.24 -33.85 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -92.17 -44.14 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -44.6 -32.09 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 781' ' ' ARG . 12.1 mtp-105 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . 0.423 ' CG2' ' HE3' ' A' ' 729' ' ' LYS . 40.9 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.829 0.347 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 6.9 mmt -67.48 -67.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -42.41 -50.18 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -60.2 -51.4 69.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . 0.423 ' HE3' ' CG2' ' A' ' 725' ' ' ILE . 42.3 mttt -53.87 -33.96 57.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.79 -51.0 60.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.47 -26.56 67.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . 0.531 ' CE2' ' HE2' ' A' ' 736' ' ' MET . 60.4 t80 -73.64 -70.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -43.36 -44.2 5.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -70.89 -35.68 72.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 45.2 ttp -64.81 -36.68 85.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 736' ' ' MET . . . . . 0.531 ' HE2' ' CE2' ' A' ' 732' ' ' PHE . 51.0 mtm -74.34 -39.43 62.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.83 -35.74 81.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 739' ' ' ALA . 9.3 pt-20 -73.86 -44.53 55.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . 0.452 ' N ' ' HG3' ' A' ' 738' ' ' GLU . . . -53.03 -39.87 63.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 27.8 mttp 60.54 38.42 18.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 5.0 p90 -66.83 174.58 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -91.5 143.92 28.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -28.78 24.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.372 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -59.49 -39.22 83.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -47.71 165.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 13.7 t -112.23 144.35 41.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 8.9 t80 -39.81 -49.65 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.6 t -48.34 -57.21 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 749' ' ' GLU . 0.0 OUTLIER -52.64 -55.94 18.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -50.21 -45.62 53.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 755' ' ' ALA . . . -55.78 -47.16 77.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -62.03 -38.06 87.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -59.86 4.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -94.5 16.3 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . 0.535 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -53.73 -36.68 62.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -100.6 8.58 43.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 758' ' ' SER . 8.2 t70 -81.19 112.84 18.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 758' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 757' ' ' ASP . 58.0 m -34.39 -64.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -45.33 -51.31 11.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' A' ' 755' ' ' ALA . 20.1 t80 -54.44 -42.86 71.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -56.57 -32.42 65.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -47.42 -34.09 6.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 22.5 mm -112.57 98.11 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 766' ' ' MET . 1.1 tt0 -92.74 -37.07 12.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 766' ' ' MET . 63.3 mttt -49.65 87.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 766' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 764' ' ' GLU . 21.7 ttt -36.31 -48.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -49.55 -49.56 45.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.3 -41.32 96.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.563 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 50.1 mtm180 -57.57 -55.36 35.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -53.44 -43.75 68.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.28 -58.46 7.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 38.3 mt -53.37 -49.7 66.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.44 -51.86 68.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -47.07 -55.43 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -55.49 -43.63 75.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -55.26 -56.28 21.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . 0.426 HG22 ' N ' ' A' ' 778' ' ' ALA . 34.8 m -65.77 -34.04 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . 0.426 ' N ' HG22 ' A' ' 777' ' ' VAL . . . -55.27 -42.62 73.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -87.29 -45.23 10.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -43.14 -39.79 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.079 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.904 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.853 0.359 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 62.0 mtp -64.18 -57.1 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -45.22 -57.67 3.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.31 -65.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -42.98 -40.38 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . 0.405 ' C ' ' OE1' ' A' ' 730' ' ' GLU . 0.0 OUTLIER -57.35 -56.87 16.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 735' ' ' MET . 1.1 m-20 -58.83 -40.61 84.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . 0.566 ' CD2' HD12 ' A' ' 772' ' ' LEU . 21.7 t80 -65.91 -68.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -43.91 -48.27 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -70.1 -38.51 75.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 735' ' ' MET . . . . . 0.564 ' CE ' ' CD1' ' A' ' 732' ' ' PHE . 8.7 tmm? -59.66 -44.82 93.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 736' ' ' MET . . . . . 0.463 ' HE3' ' CE2' ' A' ' 732' ' ' PHE . 46.6 mtm -69.78 -46.48 65.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -48.47 -44.6 35.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -68.7 -52.89 26.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -39.02 -44.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 43.5 mttt 55.97 41.8 29.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 5.6 p90 -68.9 176.17 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -91.91 143.91 28.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.622 0.725 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -26.46 27.4 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -54.76 -38.88 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -57.26 153.36 12.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 11.8 t -94.69 165.82 12.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -60.54 -42.79 97.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 3.9 t -56.08 -54.67 42.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 753' ' ' LYS . 6.4 mm-40 -55.34 -44.78 76.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -64.18 -37.1 86.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -60.42 -57.34 13.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.75 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 749' ' ' GLU . 2.7 mmmm -69.91 -40.66 75.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . 0.543 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 63.1 m-70 -113.02 31.18 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . 0.549 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -76.26 -52.5 9.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -54.53 -24.36 20.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 758' ' ' SER . 16.8 t70 -59.99 103.19 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 758' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 757' ' ' ASP . 32.3 t -34.75 -60.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -43.77 -52.55 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.549 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 1.4 t80 -53.43 -44.4 68.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -58.09 -32.34 67.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -49.82 -27.58 5.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.07 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 27.9 mm -86.08 133.63 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -122.41 -61.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -44.4 111.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 6.5 ttt -50.03 -53.44 26.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -43.1 -42.07 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.07 -47.38 71.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -54.2 -48.08 71.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -70.78 -60.58 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -46.5 -51.38 15.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . 0.566 HD12 ' CD2' ' A' ' 732' ' ' PHE . 34.3 mt -56.39 -58.47 7.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . 0.513 ' CE2' HG12 ' A' ' 777' ' ' VAL . 87.1 t80 -55.54 -63.78 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 773' ' ' PHE . 74.4 m-20 -34.98 -65.39 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -47.39 -50.69 21.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 736' ' ' MET . 15.1 t80 -49.66 -62.63 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . 0.513 HG12 ' CE2' ' A' ' 773' ' ' PHE . 26.7 m -56.94 -28.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . 0.455 ' N ' HG21 ' A' ' 777' ' ' VAL . . . -62.06 -42.11 98.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -87.4 -34.74 18.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -57.81 -46.38 84.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 725' ' ' ILE . . . . . 0.405 ' H ' ' CD1' ' A' ' 725' ' ' ILE . 3.5 mp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.82 0.343 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -47.12 -54.56 10.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -39.34 -58.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 728' ' ' ALA . . . . . 0.441 ' HB1' ' CB ' ' A' ' 762' ' ' ALA . . . -54.7 -41.35 70.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -62.73 -36.99 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.53 -57.96 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 731' ' ' ASP . . . . . 0.452 ' HB3' ' CG ' ' A' ' 759' ' ' ARG . 1.1 m-20 -61.05 -25.0 66.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 732' ' ' PHE . . . . . 0.544 ' CE2' ' HE2' ' A' ' 736' ' ' MET . 67.3 t80 -77.13 -64.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -51.84 -42.73 62.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -69.41 -39.75 77.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 30.5 ttp -58.36 -48.74 79.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 736' ' ' MET . . . . . 0.544 ' HE2' ' CE2' ' A' ' 732' ' ' PHE . 53.5 mtm -63.02 -44.1 96.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.54 -45.7 63.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.17 -45.25 85.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 739' ' ' ALA . . . . . 0.466 ' O ' ' CG ' ' A' ' 740' ' ' LYS . . . -59.12 -34.11 71.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 740' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 739' ' ' ALA . 18.3 pttp 46.81 40.92 9.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -56.3 175.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -91.75 142.55 26.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.73 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.86 19.58 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -77.63 -33.56 53.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -58.45 153.29 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.56 148.44 22.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 747' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 4.0 t80 -44.55 -35.23 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 12.2 t -66.59 -55.47 15.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 749' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 753' ' ' LYS . 34.2 mt-10 -52.49 -35.64 53.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -73.75 -39.4 64.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 751' ' ' ALA . . . . . 0.43 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -61.2 -49.53 76.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -72.28 -47.23 51.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 753' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 749' ' ' GLU . 0.0 OUTLIER -50.49 -39.85 49.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -110.57 17.81 20.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 755' ' ' ALA . . . . . . . . . . . . . . . -63.54 -8.94 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 -11.89 16.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 757' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 758' ' ' SER . 10.3 t0 -71.3 108.67 4.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 758' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 757' ' ' ASP . 2.1 t -36.77 -59.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 759' ' ' ARG . . . . . 0.452 ' CG ' ' HB3' ' A' ' 731' ' ' ASP . 2.2 mpt_? -46.69 -49.62 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 760' ' ' PHE . . . . . 0.43 ' CE2' ' HA ' ' A' ' 751' ' ' ALA . 35.0 t80 -55.39 -41.77 73.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -57.69 -25.2 59.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 762' ' ' ALA . . . . . 0.441 ' CB ' ' HB1' ' A' ' 728' ' ' ALA . . . -61.54 -37.92 85.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . 0.414 HG13 ' CG ' ' A' ' 732' ' ' PHE . 19.6 mm -91.82 77.06 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -78.71 -31.59 46.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 765' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 765' ' ' LYS . 0.0 OUTLIER -59.5 89.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 2.6 ttt -39.4 -39.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.97 -54.8 38.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -60.89 -32.37 71.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 769' ' ' ARG . . . . . 0.567 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 40.0 mtm180 -63.39 -51.32 66.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -65.55 -35.36 80.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -70.98 -62.7 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 772' ' ' LEU . . . . . 0.485 HD11 ' CD2' ' A' ' 732' ' ' PHE . 46.3 mt -51.98 -40.42 60.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 773' ' ' PHE . . . . . 0.459 ' CE1' HG11 ' A' ' 777' ' ' VAL . 40.1 t80 -71.84 -49.5 37.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -46.38 -43.29 16.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.56 -48.24 49.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -47.37 -56.44 6.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 777' ' ' VAL . . . . . 0.47 ' CG2' ' N ' ' A' ' 778' ' ' ALA . 24.7 m -62.91 -50.6 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 778' ' ' ALA . . . . . 0.47 ' N ' ' CG2' ' A' ' 777' ' ' VAL . . . -39.05 -42.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -86.35 -42.32 13.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -49.95 -27.62 5.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.888 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 28.3 t -96.76 154.05 17.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 16.8 m -150.63 168.85 23.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 149.68 -173.57 29.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 8.4 t -117.34 163.37 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.833 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 92.7 p -144.55 110.03 5.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 74.15 93.92 0.13 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -98.36 175.52 6.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -115.59 98.6 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -85.45 155.11 21.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -97.21 168.29 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -80.32 43.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -139.71 160.99 38.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -92.93 42.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -87.34 -52.04 5.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 26.3 mm -53.67 -61.91 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 36.1 mmt -42.6 -61.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -44.9 -60.87 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -53.69 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -41.28 -40.06 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -63.47 -56.84 12.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 735' ' ' MET . 5.8 m-20 -56.41 -35.45 67.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -70.47 -65.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -50.96 -40.14 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -73.45 -44.69 57.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 735' ' ' MET . . . . . 0.461 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 38.7 ttp -54.38 -43.52 71.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 55.0 mtm -69.29 -47.17 65.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.01 -36.38 28.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -76.22 -44.42 37.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -55.06 -39.38 69.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt 50.57 45.25 26.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . 0.451 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 4.6 p90 -68.26 173.58 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -90.78 143.94 29.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -20.61 34.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.275 . . . . 0.0 112.361 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -60.69 -37.68 82.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -60.96 160.09 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 8.8 t -98.96 154.03 18.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 769' ' ' ARG . 11.6 t80 -52.74 -44.68 66.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.9 t -51.88 -52.94 46.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -58.52 -51.99 67.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -52.85 -49.64 65.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . 0.528 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -51.28 -57.28 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.91 94.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -55.79 -41.76 74.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . 0.471 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 71.1 m-70 -114.82 31.11 6.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . 0.552 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -77.14 -41.24 42.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -58.58 -26.01 63.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.1 t70 -61.21 102.91 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 758' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 757' ' ' ASP . 23.2 t -34.58 -59.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 12.5 mtm-85 -46.4 -51.94 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.552 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 6.7 t80 -51.56 -41.99 61.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -56.38 -34.48 66.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.94 -40.28 13.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 39.4 mm -86.28 94.17 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -96.63 -44.92 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -43.12 100.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 5.8 ttt -41.59 -53.91 3.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -50.69 -44.85 58.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -59.7 -44.33 93.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 747' ' ' PHE . 37.1 mtp180 -65.04 -52.05 58.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -59.97 -35.94 76.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -70.37 -60.37 2.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 36.0 mt -54.45 -39.93 67.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . 0.552 ' CE2' HG11 ' A' ' 777' ' ' VAL . 80.3 t80 -70.51 -52.67 20.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -47.31 -49.7 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -63.4 -45.29 91.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . 0.451 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 42.3 t80 -55.57 -54.74 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . 0.552 HG11 ' CE2' ' A' ' 773' ' ' PHE . 17.7 m -66.74 -38.45 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -54.41 -37.19 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -89.34 -36.94 15.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -53.25 -46.95 69.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -64.26 -51.86 61.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -144.37 142.24 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -104.98 -38.49 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.928 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -83.01 53.37 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -113.52 165.14 12.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -66.34 88.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 44.0 t -150.66 135.79 17.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -169.58 64.12 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -43.12 2.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.278 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 70.9 m -121.9 146.76 46.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 3.6 t -85.46 -54.2 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 3.7 m -125.25 159.91 30.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 97.9 p -156.18 165.39 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -122.62 -174.79 14.51 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 3.1 t -142.63 153.29 43.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 19.3 m -61.58 108.48 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 145.53 148.31 4.78 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -99.6 140.7 33.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.62 146.21 39.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -44.51 143.76 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.77 -31.4 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -49.76 -43.42 48.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -69.62 104.72 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 724' ' ' LYS . 66.1 m-20 -60.75 -40.12 91.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 723' ' ' ASN . 14.8 mmtp -37.52 -41.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 89.0 mt -49.68 -57.68 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 8.0 mmt -54.06 -63.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -43.95 -61.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -51.5 -60.1 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -45.95 -37.62 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -62.3 -50.75 70.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 735' ' ' MET . 0.9 OUTLIER -64.52 -29.03 70.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . 0.542 ' CD2' HD11 ' A' ' 772' ' ' LEU . 61.8 t80 -74.18 -61.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -50.49 -45.22 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -72.07 -37.51 69.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 735' ' ' MET . . . . . 0.483 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 11.2 tmm? -62.59 -32.05 72.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 43.8 mtm -79.01 -43.02 25.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.83 -32.84 74.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 739' ' ' ALA . 12.6 pt-20 -77.52 -49.0 15.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 738' ' ' GLU . . . -53.66 -30.2 42.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt 47.76 47.98 17.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . 0.548 ' CZ ' ' CD1' ' A' ' 776' ' ' PHE . 28.6 p90 -68.93 178.61 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -102.28 144.08 27.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -15.04 37.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -67.52 -24.61 65.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -72.3 147.58 46.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 14.7 t -98.84 146.17 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -41.17 -38.84 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 1.6 t -54.88 -54.4 43.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -69.78 -52.36 25.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . 0.406 ' CE1' ' CE1' ' A' ' 754' ' ' HIS . 24.0 t80 -48.46 -39.4 22.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -71.62 -54.61 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -54.6 -28.92 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -85.34 -61.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . 0.406 ' CE1' ' CE1' ' A' ' 750' ' ' PHE . 22.5 m-70 -62.45 -9.5 8.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . . . . . . . . . . . -59.05 -53.69 55.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -49.17 -21.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 758' ' ' SER . 11.0 t70 -76.76 102.6 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 758' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 757' ' ' ASP . 71.6 m -35.24 -61.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -39.2 -51.77 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 760' ' ' PHE . 4.8 t80 -54.59 -49.47 70.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -46.72 -28.71 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.95 -50.32 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 34.7 mm -83.37 94.71 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . 0.421 ' O ' ' NH2' ' A' ' 769' ' ' ARG . 11.1 pt-20 -82.96 -29.45 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -58.51 99.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.7 ttt -50.14 -41.02 48.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -58.58 -47.74 83.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.66 -49.46 77.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.421 ' NH2' ' O ' ' A' ' 764' ' ' GLU . 42.0 mtm180 -49.64 -52.83 27.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -58.54 -38.01 76.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -65.58 -63.02 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . 0.542 HD11 ' CD2' ' A' ' 732' ' ' PHE . 68.9 mt -54.45 -45.65 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -64.36 -43.1 95.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -56.99 -56.03 27.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -54.94 -44.45 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . 0.548 ' CD1' ' CZ ' ' A' ' 741' ' ' PHE . 9.5 t80 -56.32 -55.25 35.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 778' ' ' ALA . 33.2 m -64.66 -33.13 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . 0.409 ' N ' HG21 ' A' ' 777' ' ' VAL . . . -57.6 -47.0 83.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -81.46 -38.74 25.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -48.61 -51.22 29.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -64.88 -50.08 67.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -64.83 170.71 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . 0.401 ' C ' ' HD3' ' A' ' 783' ' ' LYS . 1.0 OUTLIER -130.65 -41.91 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -86.46 47.87 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -116.77 91.39 3.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -84.95 130.5 34.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 2.9 t -87.0 105.81 17.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -156.94 147.95 17.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 146.62 60.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 5.2 t -160.95 116.34 2.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 12.9 t -47.07 121.18 3.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.528 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 83.3 p -102.68 152.97 20.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 5.8 t -139.43 156.14 47.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -68.91 -147.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 50.8 m -110.48 162.16 14.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 3.7 m -119.73 151.47 38.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -155.84 -118.62 0.61 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -123.89 161.91 24.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.936 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.48 152.48 34.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -129.01 42.16 3.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 721' ' ' LYS . 9.1 mt-10 -59.23 -46.91 87.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 720' ' ' GLU . 4.7 tmtt? -35.95 -62.34 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 10.5 mmmt -63.36 88.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -53.16 -42.81 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -41.84 -47.3 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.57 -54.36 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 16.8 mmt -55.2 -69.71 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -38.98 -60.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -49.61 -53.43 24.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -56.82 -34.65 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.3 -57.14 14.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.57 -31.75 66.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . 0.554 ' CD1' HG13 ' A' ' 763' ' ' ILE . 34.9 t80 -71.69 -67.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -45.31 -42.34 9.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -73.62 -39.79 64.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 54.0 ttp -60.37 -44.52 95.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 736' ' ' MET . . . . . 0.498 ' HE2' ' CE2' ' A' ' 732' ' ' PHE . 41.9 mtm -67.89 -44.45 76.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.63 -42.35 64.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.6 -51.28 44.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -54.46 -27.97 41.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 739' ' ' ALA . 0.1 OUTLIER 36.51 36.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -52.01 -178.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -93.76 144.22 27.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -31.14 21.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -55.99 -35.3 66.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -49.97 179.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 6.4 t -129.94 148.17 51.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.11 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -38.74 -51.09 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.6 t -49.29 -56.19 10.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -54.58 -54.57 39.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -50.77 -46.93 59.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 760' ' ' PHE . . . -57.52 -45.78 84.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -68.64 -32.76 72.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -61.03 -46.26 91.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -111.89 16.13 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 751' ' ' ALA . . . -55.77 -32.04 63.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -96.43 11.99 32.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 758' ' ' SER . 17.9 t0 -93.18 108.81 20.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 758' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 757' ' ' ASP . 4.6 m -36.9 -56.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 71.2 mmt-85 -50.82 -50.67 55.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 751' ' ' ALA . 29.3 t80 -53.81 -35.9 61.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -60.67 -29.86 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -55.2 -17.51 4.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 732' ' ' PHE . 25.8 mm -115.32 88.98 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -95.53 -39.16 10.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -44.11 98.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 12.3 ttt -43.42 -40.76 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -49.67 74.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.29 -40.21 95.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.431 ' CG ' HG22 ' A' ' 763' ' ' ILE . 41.9 mtp180 -65.57 -49.09 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.409 ' HG2' ' ND2' ' A' ' 774' ' ' ASN . 19.0 tt0 -65.56 -35.87 82.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -72.55 -68.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 40.7 mt -45.62 -39.03 7.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -73.84 -55.59 6.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . 0.409 ' ND2' ' HG2' ' A' ' 770' ' ' GLU . 62.0 m-20 -45.56 -46.17 14.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -66.39 -54.67 21.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -43.81 -54.75 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . . . . . . . . . 25.7 m -64.61 -35.12 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -57.18 -32.43 66.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -93.72 -44.68 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -49.58 -32.73 13.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 780' ' ' ALA . 32.6 mtp180 -34.78 -65.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -68.48 159.56 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -109.24 -42.37 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -47.12 -57.19 5.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -103.48 116.03 31.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 787' ' ' SER . 15.0 pt-20 -114.27 -46.69 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 787' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 786' ' ' GLU . 95.3 p -73.93 128.43 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -128.62 -75.29 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -42.98 2.94 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.656 2.237 . . . . 0.0 112.348 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 36.5 p 42.59 41.5 2.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 93.9 p -113.19 134.99 54.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.491 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 711' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 711' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 710' ' ' GLY . 42.1 t -37.47 113.15 0.24 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 84.3 p -45.55 139.85 3.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -98.47 68.18 0.67 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 30.5 t -117.88 130.08 56.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 16.6 t -161.47 149.1 14.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -148.57 73.12 0.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -131.77 116.72 17.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -58.15 128.01 34.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.58 21.92 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.63 -38.08 88.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -40.53 -47.82 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.47 136.14 33.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -91.6 -43.21 9.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -38.7 -57.37 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 46.6 mt -47.84 -59.94 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 5.7 mmt -55.25 -60.97 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -43.06 -60.4 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -51.34 -61.03 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -45.31 -40.51 7.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -57.68 -59.17 5.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 735' ' ' MET . 60.0 m-20 -50.23 -34.06 21.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -73.16 -65.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -45.74 -43.05 12.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . 0.437 ' HE3' ' N ' ' A' ' 734' ' ' LYS . 0.0 OUTLIER -74.25 -39.64 62.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 735' ' ' MET . . . . . 0.412 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 41.1 ttp -59.56 -46.03 90.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 36.5 mtm -68.69 -41.97 78.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -52.61 -45.01 66.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -69.66 -44.61 70.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -47.93 -34.7 9.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt 41.35 38.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -66.95 -178.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -95.86 144.08 27.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -3.32 11.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.236 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -77.99 -34.11 51.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -58.55 162.46 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 11.6 t -114.57 165.36 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 13.7 t80 -56.51 -35.32 67.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 6.4 t -55.4 -52.72 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -70.02 -55.47 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -44.96 -44.09 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -69.3 -53.75 18.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -52.2 -31.25 30.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -83.7 -63.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -58.95 -16.8 19.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . . . . . . . . . . . -47.98 -59.81 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -48.93 -24.35 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -71.48 102.9 2.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 758' ' ' SER . . . . . . . . . . . . . 46.3 m -38.92 -59.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 45.3 mtt85 -40.94 -51.3 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.67 -47.85 73.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -45.48 -33.1 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -47.36 -47.53 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 16.1 mm -76.55 92.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -83.01 -27.82 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -64.96 96.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 3.1 ttp -48.79 -42.17 34.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -60.12 -46.72 88.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.12 -46.83 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.464 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 60.5 mtm180 -56.07 -53.5 56.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.59 -29.98 66.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -72.87 -55.48 6.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 29.2 mt -63.47 -33.03 74.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -76.84 -37.14 56.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -62.59 -47.75 82.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 776' ' ' PHE . 12.2 pt-20 -68.73 -46.78 68.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . 0.406 ' N ' ' HG3' ' A' ' 775' ' ' GLU . 23.4 t80 -53.35 -55.65 23.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 778' ' ' ALA . 10.6 m -62.68 -40.95 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . 0.464 ' N ' HG22 ' A' ' 777' ' ' VAL . . . -54.06 -35.3 61.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -84.23 -43.56 14.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -48.45 -40.35 25.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -77.08 83.69 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -146.75 174.77 11.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -122.02 -49.37 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -84.43 64.87 8.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -67.1 104.63 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -110.17 135.91 50.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 47.0 t -144.32 156.82 44.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -77.92 175.99 54.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 86.89 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.332 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 90.0 p -134.78 164.71 26.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 43.8 p -110.0 131.1 55.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 60.2 p -60.7 -21.19 62.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 22.7 p -75.81 173.85 10.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 80.72 146.84 4.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 77.9 p -64.92 -42.5 94.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 68.0 p -53.72 128.99 31.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 152.16 76.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -121.99 43.35 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.357 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.08 79.64 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -109.01 161.45 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -127.72 171.12 11.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -120.84 34.08 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -97.73 159.52 14.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -76.49 58.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -114.99 -50.86 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 20.8 mt -63.08 -39.6 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -59.8 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -47.23 -51.71 17.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -62.49 -52.93 61.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -54.13 -33.16 57.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -66.12 -56.43 11.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 735' ' ' MET . 0.2 OUTLIER -54.83 -30.23 56.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -78.3 -62.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -49.97 -42.43 48.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -73.05 -42.24 63.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 735' ' ' MET . . . . . 0.418 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 9.3 tmm? -57.08 -49.37 76.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 736' ' ' MET . . . . . 0.509 ' HG2' ' CZ ' ' A' ' 750' ' ' PHE . 42.3 mtm -64.87 -43.29 93.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -51.63 -41.92 61.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -70.2 -45.58 66.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -57.42 -32.54 66.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 739' ' ' ALA . 18.3 ttpt 34.38 36.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 739' ' ' ALA . 4.8 p90 -55.11 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -94.29 144.0 27.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.594 0.711 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -11.65 31.29 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -67.06 -31.5 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -67.38 166.56 14.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 14.9 t -105.75 164.59 11.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -55.51 -39.53 70.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 7.3 t -63.69 -47.73 80.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.81 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -59.64 -44.92 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . 0.509 ' CZ ' ' HG2' ' A' ' 736' ' ' MET . 21.0 t80 -62.05 -49.62 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . 0.511 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -53.49 -60.27 3.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.095 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.45 34.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -45.8 -45.14 14.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . 0.543 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 10.0 m-70 -114.45 37.17 3.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . 0.567 ' HA ' ' CE1' ' A' ' 760' ' ' PHE . . . -86.69 -36.51 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -61.39 -27.27 68.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 758' ' ' SER . 36.9 t70 -60.54 102.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 758' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 757' ' ' ASP . 28.4 t -35.13 -59.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.847 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -44.56 -53.49 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 755' ' ' ALA . 1.3 t80 -52.02 -43.45 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -55.82 -32.77 63.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -42.47 -36.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 44.4 mm -96.55 97.71 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -97.49 -33.33 11.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -48.2 100.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 9.6 ttt -44.62 -44.66 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . 0.404 ' C ' ' HD3' ' A' ' 767' ' ' LYS . 6.6 tmtt? -59.22 -48.14 82.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -62.01 -42.88 99.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -63.99 -46.0 86.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -65.31 -43.83 89.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -66.22 -65.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 41.3 mt -47.07 -44.07 20.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -67.58 -54.49 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -45.37 -51.89 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 776' ' ' PHE . 10.6 pt-20 -63.1 -39.97 96.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . 0.403 ' N ' ' HG3' ' A' ' 775' ' ' GLU . 62.3 t80 -54.83 -58.4 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . 0.46 HG22 ' N ' ' A' ' 778' ' ' ALA . 34.7 m -59.27 -36.4 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . 0.46 ' N ' HG22 ' A' ' 777' ' ' VAL . . . -55.81 -43.4 76.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -83.92 -32.89 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -53.75 -41.07 66.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -77.94 80.63 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -148.7 171.78 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -113.6 -49.29 2.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -85.53 52.18 2.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . 0.416 ' C ' ' HD2' ' A' ' 785' ' ' LYS . 2.9 tmmm? -81.37 138.23 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.401 ' N ' ' HD2' ' A' ' 785' ' ' LYS . 13.0 tt0 -127.56 161.82 27.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 91.0 p -92.3 -41.93 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -151.65 83.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 105.33 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 59.0 m -38.86 127.73 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 4.2 m -97.55 91.51 5.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.549 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 11.9 m -144.79 164.46 30.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 94.7 p -106.89 -29.47 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -84.66 106.1 2.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 7.4 t -88.98 125.02 34.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.82 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 98.4 p -76.51 122.65 24.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -139.46 59.21 0.59 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -119.36 128.13 53.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 19.1 mmm-85 -79.62 171.42 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 719' ' ' ARG . 0.0 OUTLIER -96.56 171.78 8.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -95.47 146.76 24.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -82.15 46.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -106.37 136.46 46.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 726' ' ' MET . 2.5 t-20 -51.92 -47.62 64.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 723' ' ' ASN . 3.5 ttmm -34.68 -56.61 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 75.2 mt -53.95 -42.02 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 726' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 723' ' ' ASN . 46.3 mmm -63.41 -63.55 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -46.23 -39.0 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -71.19 -43.52 67.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -61.04 -32.16 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.26 -49.18 24.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -62.95 -24.49 67.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . 0.425 ' CE2' ' HE3' ' A' ' 736' ' ' MET . 35.8 t80 -77.44 -65.6 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 734' ' ' LYS . 8.6 ptpp? -49.66 -39.43 36.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 733' ' ' LYS . 68.6 mttt -73.77 -43.9 57.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 735' ' ' MET . . . . . 0.407 ' CE ' ' CD1' ' A' ' 732' ' ' PHE . 8.5 tmm? -57.7 -42.18 83.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 736' ' ' MET . . . . . 0.425 ' HE3' ' CE2' ' A' ' 732' ' ' PHE . 52.5 mtm -68.4 -47.62 66.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -50.25 -42.07 51.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -70.64 -45.89 64.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . 0.51 ' CB ' ' CE1' ' A' ' 754' ' ' HIS . . . -46.53 -32.15 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt 55.18 48.95 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . 0.509 ' C ' ' CD1' ' A' ' 741' ' ' PHE . 3.5 p90 -87.62 161.88 17.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -91.53 144.54 29.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -15.12 36.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -62.4 -39.83 94.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -57.63 144.4 37.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 8.6 t -82.67 143.14 31.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -38.62 -47.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 43.8 t -52.93 -52.91 56.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -58.93 -46.76 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -58.55 -62.15 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . 0.427 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -41.6 -53.26 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -67.97 -28.84 67.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . 0.401 ' HA ' ' CE ' ' A' ' 753' ' ' LYS . 0.0 OUTLIER -69.55 -37.2 76.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . 0.51 ' CE1' ' CB ' ' A' ' 739' ' ' ALA . 30.6 m-70 -116.76 31.73 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . 0.496 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -75.78 -39.79 56.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -59.9 -29.79 68.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.4 t70 -60.98 101.55 0.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 758' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 757' ' ' ASP . 11.8 t -35.5 -61.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -41.88 -53.87 3.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.496 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 5.0 t80 -51.89 -46.42 64.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -51.13 -37.6 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.21 -42.29 6.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 35.0 mm -84.34 96.49 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -99.58 -37.5 9.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -46.46 100.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 13.5 ttt -42.48 -41.7 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -62.23 -47.01 86.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.45 -41.06 96.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -65.46 -52.14 55.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 774' ' ' ASN . 15.4 tt0 -61.14 -35.01 75.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -75.12 -68.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . 0.409 HD11 ' CD2' ' A' ' 732' ' ' PHE . 47.7 mt -42.8 -42.19 3.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . 0.452 ' CZ ' HG12 ' A' ' 777' ' ' VAL . 66.5 t80 -68.84 -49.6 57.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 770' ' ' GLU . 77.1 m-20 -50.28 -41.03 50.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -67.63 -56.3 9.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -47.72 -56.34 7.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . 0.452 HG12 ' CZ ' ' A' ' 773' ' ' PHE . 25.6 m -61.4 -43.43 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . 0.414 ' N ' HG21 ' A' ' 777' ' ' VAL . . . -48.78 -42.96 37.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -81.86 -41.96 20.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -46.07 -45.22 16.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -73.11 176.23 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 158.86 18.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -126.52 89.28 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -76.03 48.92 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.49 -56.78 3.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -86.8 157.77 19.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 5.0 t -106.79 -54.54 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -166.96 -93.11 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 120.75 7.5 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.721 2.28 . . . . 0.0 112.372 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 3.1 m -161.72 117.15 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 9.6 t -67.29 130.89 44.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 2.3 m -102.08 109.45 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 78.4 p -139.89 121.31 15.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -93.44 -138.75 9.05 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 4.4 m -71.67 125.78 27.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.878 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 32.1 t -143.17 146.87 34.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -177.35 144.66 6.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -121.13 109.56 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 718' ' ' ARG . 19.2 ttp-105 -57.3 149.77 19.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -112.64 -46.17 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -120.46 131.84 54.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.07 -45.37 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -48.2 151.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 723' ' ' ASN . 6.1 p-10 -79.1 45.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -89.58 -50.63 5.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.1 mm -38.12 -49.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 9.2 mmt -56.85 -58.51 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.26 -55.32 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -57.25 -61.19 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -43.0 -39.73 2.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.06 -51.81 65.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . 0.449 ' OD1' ' C ' ' A' ' 731' ' ' ASP . 0.2 OUTLIER -57.75 -29.36 64.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . 0.509 ' CE2' ' HE1' ' A' ' 736' ' ' MET . 39.0 t80 -75.32 -69.21 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.42 -39.85 11.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -72.9 -41.67 64.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 26.4 ttp -56.8 -43.09 80.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 736' ' ' MET . . . . . 0.509 ' HE1' ' CE2' ' A' ' 732' ' ' PHE . 52.6 mtm -69.61 -46.23 66.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -48.29 -45.99 35.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -69.02 -46.55 67.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -43.85 -46.0 7.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt 62.93 42.9 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -77.29 176.19 9.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -101.25 143.95 27.6 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -5.88 17.28 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.252 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -77.35 -36.6 53.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -48.58 165.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.27 142.38 37.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -42.8 -49.33 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 1.3 t -48.76 -42.94 37.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.79 -65.31 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . 0.492 ' CE2' ' NE2' ' A' ' 754' ' ' HIS . 28.8 t80 -40.21 -41.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -70.68 -48.61 53.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -52.61 -38.53 60.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -79.92 -62.0 1.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . 0.492 ' NE2' ' CE2' ' A' ' 750' ' ' PHE . 30.1 m-70 -55.02 -21.42 12.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . . . . . . . . . . . -48.78 -56.97 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -53.83 -29.36 40.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 758' ' ' SER . 19.8 t0 -62.0 102.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 758' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 757' ' ' ASP . 15.5 m -34.63 -62.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -40.03 -54.22 2.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 760' ' ' PHE . 4.9 t80 -51.12 -47.95 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -48.41 -22.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -57.04 -38.44 73.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 43.1 mm -86.87 120.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 765' ' ' LYS . 1.6 tt0 -105.84 -58.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 764' ' ' GLU . 12.5 mmtp -36.64 111.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.29 -48.05 71.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -54.54 -34.93 62.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -68.22 -44.27 76.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -60.23 -50.89 71.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -68.67 -37.77 79.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -62.93 -66.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . 0.506 HD13 ' CD2' ' A' ' 732' ' ' PHE . 36.6 mt -49.49 -48.2 48.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -59.35 -41.52 89.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -60.58 -42.93 97.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.21 -55.17 20.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -47.33 -63.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . 0.425 ' CG2' ' N ' ' A' ' 778' ' ' ALA . 11.9 m -55.88 -43.71 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . 0.425 ' N ' ' CG2' ' A' ' 777' ' ' VAL . . . -48.14 -40.4 23.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -88.17 -35.67 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -52.99 -49.25 66.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -58.92 -40.66 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 784' ' ' GLU . 48.8 mttp -70.49 -66.8 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 782' ' ' LYS . 47.4 tttt -34.41 -33.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 782' ' ' LYS . 8.9 tt0 -81.99 40.8 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 784' ' ' GLU . 1.7 mptp? -34.38 -42.3 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.47 115.64 14.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 35.6 t -93.89 141.52 28.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -142.86 146.44 17.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 94.32 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.637 2.224 . . . . 0.0 112.345 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 12.2 m -57.96 128.01 34.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 78.9 p -124.1 132.23 53.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 10.7 m -94.4 42.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 94.1 p -130.55 126.65 37.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 171.95 -136.92 4.04 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 38.4 t -50.83 120.45 4.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.844 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 21.4 t -170.48 155.04 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -136.12 147.12 19.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -72.28 146.37 47.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -107.83 38.67 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -78.19 89.4 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.77 37.85 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -113.16 -56.18 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -71.25 107.47 4.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.71 -44.11 97.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 724' ' ' LYS . 0.0 OUTLIER -42.0 -35.5 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 93.5 mt -44.27 -43.75 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 76.9 mtm -56.39 -59.46 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -48.04 -57.12 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -57.19 -63.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -44.11 -38.33 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -61.69 -50.01 74.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.99 -30.23 71.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.813 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . 0.427 ' CE2' ' HE2' ' A' ' 736' ' ' MET . 39.9 t80 -71.92 -64.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -47.6 -41.08 21.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -75.86 -37.68 58.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 735' ' ' MET . . . . . 0.42 ' HE2' ' CD1' ' A' ' 732' ' ' PHE . 49.1 ttp -60.65 -34.71 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 736' ' ' MET . . . . . 0.427 ' HE2' ' CE2' ' A' ' 732' ' ' PHE . 54.6 mtm -78.71 -47.69 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.79 -41.64 44.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -76.43 -48.65 18.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -38.47 -42.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp 61.91 43.35 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 5.9 p90 -78.93 177.31 8.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -103.98 143.97 27.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -7.38 20.93 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.706 2.27 . . . . 0.0 112.336 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 58.3 mmt-85 -79.11 -40.05 32.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -49.03 145.59 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 746' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 749' ' ' GLU . 7.9 t -86.37 135.54 33.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . 0.451 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 7.5 t80 -38.02 -43.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 26.1 t -52.22 -44.91 65.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 746' ' ' THR . 5.9 mt-10 -70.87 -54.49 11.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -50.86 -40.76 57.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -68.02 -50.08 57.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -56.82 -43.06 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -69.16 -55.14 11.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -66.94 -8.05 26.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . 0.516 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -54.78 -61.87 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -45.28 -28.95 0.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.1 t70 -62.93 101.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 758' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 757' ' ' ASP . 8.9 t -37.54 -56.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 759' ' ' ARG . 15.8 mmp_? -45.85 -49.38 15.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.516 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 13.1 t80 -55.74 -42.82 75.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -53.21 -17.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -65.52 -37.48 86.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 29.1 mm -90.29 113.75 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 766' ' ' MET . 1.4 tt0 -106.15 -47.13 3.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -39.46 94.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 766' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 764' ' ' GLU . 10.6 ttt -42.54 -48.04 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.827 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -53.85 -43.29 69.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -63.22 -40.22 96.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.451 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 49.5 mtt180 -56.73 -55.49 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -65.24 -32.69 74.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.86 -62.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 29.5 mt -54.33 -46.76 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -62.82 -40.55 97.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -59.34 -42.57 91.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.92 -62.91 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -39.29 -60.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . 0.43 ' CG2' ' N ' ' A' ' 778' ' ' ALA . 6.9 m -59.42 -43.07 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 777' ' ' VAL . . . -50.27 -40.91 49.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -90.49 -25.36 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -68.74 -35.71 77.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -73.43 -50.38 22.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -149.74 169.63 20.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 785' ' ' LYS . 68.7 mttt -124.26 32.27 5.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 785' ' ' LYS . 12.4 pt-20 -40.44 -26.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 783' ' ' LYS . 6.9 tmtm? -37.51 98.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.77 160.57 31.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 70.9 m -92.01 -59.5 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 64.74 81.98 0.11 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.449 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 120.46 7.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.315 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 37.4 m -128.75 147.93 50.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 89.3 p -120.78 119.48 32.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 58.1 p -154.0 123.78 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 98.3 p -87.36 111.66 21.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -140.5 -55.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 2.7 m -38.41 -61.67 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 87.0 p -48.74 169.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -145.69 -129.45 2.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.546 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -106.2 112.78 25.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 29.1 ptt85 -111.89 95.16 5.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -109.35 103.64 12.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -139.23 116.9 11.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . 0.4 ' C ' ' HD2' ' A' ' 721' ' ' LYS . 0.4 OUTLIER -70.1 -55.45 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -62.72 151.81 37.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -79.99 89.98 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -122.94 -48.46 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 66.5 mt -54.22 -57.65 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 16.1 mtm -53.47 -54.91 30.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -49.62 -59.3 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.31 -60.76 3.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -45.71 -41.22 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -58.45 -51.76 68.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -58.68 -28.51 65.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . 0.556 ' CE2' ' HE3' ' A' ' 736' ' ' MET . 17.0 t80 -76.63 -67.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -44.71 -39.73 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -76.01 -43.27 45.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 735' ' ' MET . . . . . 0.405 ' HE1' ' CD1' ' A' ' 732' ' ' PHE . 33.3 ttp -57.4 -42.92 83.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 736' ' ' MET . . . . . 0.556 ' HE3' ' CE2' ' A' ' 732' ' ' PHE . 56.1 mtm -70.48 -45.98 64.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -48.59 -43.89 36.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -73.31 -40.48 64.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -43.97 -43.99 6.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 61.1 mttt 57.23 47.03 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . 0.529 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 5.1 p90 -80.65 173.91 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.14 142.77 25.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -11.89 31.83 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.368 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 42.3 mmt-85 -85.06 0.5 51.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -80.37 166.4 21.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 746' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 748' ' ' SER . 2.3 t -107.91 131.67 54.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -38.5 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 748' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 746' ' ' THR . 16.0 m -65.57 -60.17 3.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -55.03 -44.25 74.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -59.98 -52.48 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 755' ' ' ALA . . . -51.95 -61.19 2.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -57.15 -54.91 41.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -49.93 -37.81 33.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 66.3 m-70 -113.37 26.41 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . 0.54 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -80.93 -34.69 33.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -69.53 -22.43 63.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.3 t70 -61.37 105.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 758' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 757' ' ' ASP . 11.9 t -34.83 -59.62 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -46.02 -53.32 10.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 754' ' ' HIS . 2.7 t80 -52.18 -41.66 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -60.11 -36.37 77.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.49 -29.94 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 10.5 mm -88.15 136.74 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -124.18 -59.71 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -39.33 114.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 8.1 ttt -55.69 -51.37 67.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 771' ' ' ALA . 0.9 OUTLIER -48.74 -35.75 14.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.94 -52.18 31.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -52.03 -51.0 60.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.61 -55.65 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 767' ' ' LYS . . . -45.21 -52.38 9.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 35.8 mt -59.39 -58.43 8.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -51.48 -34.53 36.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -61.54 -57.28 12.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -59.46 -37.27 77.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . 0.529 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 41.8 t80 -60.34 -59.83 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . . . . . . . . . 17.7 m -63.48 -40.85 90.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -52.36 -40.84 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -82.51 -46.27 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -44.83 -42.6 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -77.63 97.7 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -139.59 155.29 47.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -77.25 -48.28 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -36.93 -49.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.65 -55.91 8.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -130.51 130.06 43.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 23.2 t -84.72 111.93 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 111.17 71.63 0.64 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 98.73 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.317 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 3.2 m 56.45 41.73 28.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 67.9 p 38.37 42.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 28.7 p -79.74 152.82 29.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 40.5 m -51.02 154.6 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 94.45 60.39 1.11 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.439 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 97.6 p -151.51 121.6 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 5.2 t -134.45 113.88 12.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -134.16 47.48 0.99 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.419 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -139.17 161.51 37.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -67.8 102.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 720' ' ' GLU . 32.7 mmm-85 -74.21 150.79 40.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 719' ' ' ARG . 9.4 pt-20 -37.5 109.72 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -126.89 -50.76 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -109.42 173.63 6.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -64.21 -39.18 93.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -38.75 -51.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 19.6 mm -42.42 -68.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 726' ' ' MET . . . . . 0.4 ' HA ' ' NZ ' ' A' ' 729' ' ' LYS . 15.1 mtp -48.85 -52.15 25.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -38.54 -56.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.83 90.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . 0.4 ' NZ ' ' HA ' ' A' ' 726' ' ' MET . 5.2 mtmp? -61.6 -29.44 70.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -68.33 -54.54 16.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -60.93 -28.32 68.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . 0.569 ' CE2' ' HE3' ' A' ' 736' ' ' MET . 53.1 t80 -78.04 -61.87 1.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -51.36 -43.33 61.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -71.53 -38.76 71.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -60.99 -45.72 93.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 736' ' ' MET . . . . . 0.569 ' HE3' ' CE2' ' A' ' 732' ' ' PHE . 48.1 mtm -65.7 -43.66 88.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.02 -43.48 73.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -64.28 -50.17 68.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -59.68 -27.55 66.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 739' ' ' ALA . 5.6 ttpt 34.35 51.98 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . 0.512 ' CZ ' ' CE1' ' A' ' 773' ' ' PHE . 4.8 p90 -63.36 -179.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -92.76 144.0 27.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.596 0.713 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -13.37 34.54 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -69.3 -37.93 78.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -60.87 159.0 11.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 8.9 t -104.77 149.26 25.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 3.0 t80 -39.24 -40.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.6 t -56.91 -58.22 9.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 753' ' ' LYS . 37.5 mt-10 -54.22 -41.73 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 736' ' ' MET . 22.8 t80 -63.38 -43.73 96.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . 0.557 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -62.49 -57.49 11.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.8 93.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 749' ' ' GLU . 16.0 mmtp -61.78 -42.75 99.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 34.3 m-70 -108.56 27.93 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 751' ' ' ALA . . . -78.59 -33.13 47.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -66.07 -26.98 67.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 758' ' ' SER . 34.3 t70 -64.79 100.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 758' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 757' ' ' ASP . 1.9 m -34.91 -61.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -42.16 -54.21 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 751' ' ' ALA . 1.1 t80 -51.66 -45.96 63.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -52.99 -32.61 47.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -47.45 -35.79 9.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . 0.407 HG21 ' CG ' ' A' ' 769' ' ' ARG . 43.9 mm -88.44 92.7 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.58 -43.21 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -46.09 105.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -42.79 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -57.33 -37.06 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.11 -43.92 55.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.407 ' CG ' HG21 ' A' ' 763' ' ' ILE . 30.2 mtp180 -61.41 -48.41 81.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 774' ' ' ASN . 9.8 tt0 -70.14 -39.38 75.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.97 -61.03 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.52 -46.18 80.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . 0.512 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 76.1 t80 -65.78 -43.15 89.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 770' ' ' GLU . 50.5 m-20 -52.89 -56.16 17.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -60.03 -37.54 80.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -56.15 -61.65 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 778' ' ' ALA . 18.5 m -61.67 -34.37 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . 0.43 ' N ' HG21 ' A' ' 777' ' ' VAL . . . -56.9 -38.4 72.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -88.0 -39.08 14.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -49.97 -38.98 39.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 781' ' ' ARG . 3.9 ptm85 -79.08 174.32 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -63.9 153.46 36.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 784' ' ' GLU . 30.4 pttt -115.27 -40.65 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 783' ' ' LYS . 3.1 tp10 -38.01 -42.2 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 786' ' ' GLU . 0.2 OUTLIER -41.1 126.76 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 785' ' ' LYS . 15.5 tp10 -35.42 -49.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 787' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 786' ' ' GLU . 57.7 m -37.29 -61.33 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 787' ' ' SER . . . 37.21 62.59 0.87 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 790' ' ' SER . 54.0 Cg_endo -69.76 -47.64 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.366 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 790' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 789' ' ' PRO . 38.8 m 35.81 38.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 8.0 t -166.72 162.39 16.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 57.9 m -53.47 129.36 32.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 75.5 m -42.83 129.25 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -76.71 175.44 53.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 99.1 p -160.45 139.3 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 2.6 t -103.2 168.57 9.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -149.39 -169.84 16.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -83.89 44.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 719' ' ' ARG . 10.0 ptp180 -44.23 -36.98 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . 0.409 ' N ' ' HG3' ' A' ' 718' ' ' ARG . 15.6 ttm180 -128.59 85.26 2.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.46 11.76 9.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -95.97 -51.27 4.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -98.55 151.78 20.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -95.76 40.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -80.37 -43.71 20.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.68 -47.93 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -55.77 30.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -52.79 -57.9 8.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -53.9 -55.17 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -51.38 -38.58 54.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -61.23 -56.0 25.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . 0.446 ' OD1' ' C ' ' A' ' 731' ' ' ASP . 0.6 OUTLIER -53.97 -31.0 49.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . 0.412 ' CE2' ' HE2' ' A' ' 736' ' ' MET . 30.5 t80 -73.38 -69.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -46.26 -38.55 8.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.19 -40.06 62.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 35.1 ttp -59.42 -41.67 90.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 736' ' ' MET . . . . . 0.412 ' HE2' ' CE2' ' A' ' 732' ' ' PHE . 71.1 mtm -69.97 -48.91 56.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -49.0 -42.9 39.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -68.73 -48.34 64.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -51.58 -45.78 63.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 62.47 43.07 8.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 8.2 p90 -67.93 178.93 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -102.58 144.03 27.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.655 0.741 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -19.42 36.08 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.246 . . . . 0.0 112.357 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 745' ' ' ALA . 0.3 OUTLIER -60.76 -38.0 83.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . 0.466 ' N ' ' HD3' ' A' ' 744' ' ' ARG . . . -60.98 168.11 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 6.4 t -108.46 154.64 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . 0.548 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 8.8 t80 -52.43 -40.22 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 2.7 t -55.84 -57.89 10.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . 0.456 ' N ' ' OE1' ' A' ' 749' ' ' GLU . 0.0 OUTLIER -58.93 -52.4 65.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -51.23 -53.12 38.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 755' ' ' ALA . . . -49.81 -58.43 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -56.64 -42.16 78.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -59.08 -45.51 90.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 31.0 m-70 -108.0 27.89 8.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . 0.497 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -80.31 -27.72 38.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -22.59 57.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -60.61 112.34 1.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 758' ' ' SER . . . . . . . . . . . . . 60.1 m -40.91 -57.33 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -48.93 -46.88 43.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.497 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 4.3 t80 -57.64 -39.8 77.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -54.63 -21.73 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.8 89.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . 0.415 ' CG2' ' HG3' ' A' ' 769' ' ' ARG . 25.2 mm -90.69 79.77 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -82.23 -30.52 30.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.31 93.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -42.31 -47.04 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -51.27 -49.44 61.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.11 -34.93 77.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.548 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 53.9 mtm180 -65.73 -51.98 54.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -59.6 -42.23 92.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.56 -60.57 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 95.6 mt -55.32 -50.24 70.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . 0.447 ' CZ ' HG13 ' A' ' 777' ' ' VAL . 64.3 t80 -59.52 -44.05 93.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -51.03 -51.1 56.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -58.63 -54.73 43.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -46.06 -63.04 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . 0.447 HG13 ' CZ ' ' A' ' 773' ' ' PHE . 8.1 m -60.59 -35.58 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . 0.423 ' N ' HG21 ' A' ' 777' ' ' VAL . . . -54.16 -35.97 62.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -93.2 -41.63 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -47.97 -33.57 7.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 780' ' ' ALA . 26.2 mtp180 -35.6 -60.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -78.52 155.53 29.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 784' ' ' GLU . 8.8 ttpp -94.42 -46.24 7.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 783' ' ' LYS . 22.1 mt-10 -35.98 -39.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 785' ' ' LYS . 0.0 OUTLIER -56.39 142.06 39.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -88.23 154.99 19.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 3.9 m -137.19 158.69 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 88.64 161.33 37.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -37.35 9.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 34.6 p -169.6 158.04 7.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.825 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 24.7 p -168.01 148.87 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.454 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 68.5 p -144.33 136.94 26.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 95.4 p -95.49 42.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 62.85 173.38 2.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 8.3 t -119.81 110.96 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 25.3 p -85.67 -46.22 10.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 106.33 95.76 2.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -98.98 114.66 27.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -123.18 36.77 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -95.43 47.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -83.31 46.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 -53.69 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -98.67 164.88 12.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -112.21 -38.97 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 725' ' ' ILE . 47.5 mtmt -42.94 -44.57 4.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 724' ' ' LYS . 84.8 mt -37.01 -50.69 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 69.5 mtm -58.49 -60.79 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -40.72 -58.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -55.1 -62.39 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -43.27 -40.6 3.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -59.57 -58.3 9.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.97 -29.08 26.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . 0.515 ' CE2' ' HE2' ' A' ' 736' ' ' MET . 41.1 t80 -78.7 -66.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -48.23 -39.54 21.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -73.72 -43.81 58.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 8.4 tmm? -56.94 -48.7 77.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 736' ' ' MET . . . . . 0.515 ' HE2' ' CE2' ' A' ' 732' ' ' PHE . 44.0 mtm -64.89 -43.94 91.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -50.47 -43.75 55.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -68.65 -46.37 69.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -60.35 -33.5 72.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 739' ' ' ALA . 21.9 tttm 34.31 41.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -55.37 -177.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -93.25 143.44 26.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -10.24 28.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.272 . . . . 0.0 112.317 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 745' ' ' ALA . 1.9 ppt_? -65.87 -37.8 87.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . 0.413 ' N ' ' HD2' ' A' ' 744' ' ' ARG . . . -63.37 166.12 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 15.4 t -108.63 164.99 11.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 3.1 t80 -55.19 -46.75 75.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 1.4 t -53.17 -59.33 4.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.887 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -54.05 -42.23 68.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -61.18 -41.15 96.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 760' ' ' PHE . . . -61.24 -57.14 13.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.31 76.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -53.23 -42.75 66.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . 0.544 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 72.7 m-70 -110.34 25.78 11.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 751' ' ' ALA . . . -77.01 -31.17 56.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -73.22 -26.26 61.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 758' ' ' SER . 14.6 t70 -60.32 101.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 758' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 757' ' ' ASP . 18.0 m -34.51 -61.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -44.63 -53.35 7.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 754' ' ' HIS . 2.6 t80 -52.03 -43.3 63.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -54.58 -33.4 60.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -41.44 -38.42 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 8.2 mm -91.86 104.42 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.37 -33.38 10.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -56.93 92.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 14.7 ttt -42.38 -43.35 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -52.65 -50.48 63.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -39.7 84.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.558 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 62.8 mtm180 -59.83 -54.44 46.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -57.47 -41.74 81.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -68.63 -66.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 29.9 mt -48.93 -36.68 17.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . 0.452 ' CZ ' HG12 ' A' ' 777' ' ' VAL . 89.2 t80 -74.05 -50.14 21.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -50.52 -44.09 56.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -67.28 -58.49 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -43.51 -64.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . 0.452 HG12 ' CZ ' ' A' ' 773' ' ' PHE . 20.5 m -50.92 -47.28 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . 0.452 ' N ' HG21 ' A' ' 777' ' ' VAL . . . -47.28 -41.58 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -82.42 -40.41 21.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -47.45 -52.43 17.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -63.93 166.13 7.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -49.38 158.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -96.99 -36.38 10.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -46.87 -43.81 19.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -60.14 -47.06 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -117.1 85.3 2.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 3.1 m -121.96 157.7 30.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 166.36 146.36 4.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.43 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -175.31 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.262 . . . . 0.0 112.358 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 3.0 t -89.06 129.66 35.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 61.8 p -137.21 154.15 50.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 56.6 m -104.12 149.26 25.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 80.9 p -151.15 113.93 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 168.26 135.33 1.86 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 69.5 m -156.18 137.39 13.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.811 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 65.9 p -115.19 127.6 55.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -177.96 72.97 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -132.85 152.09 51.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 21.7 ttp180 -131.95 92.63 3.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -132.86 42.35 3.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -84.09 39.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -81.31 -52.27 7.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -96.03 175.12 6.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -101.39 -48.22 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -39.72 -48.27 2.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 21.5 mt -40.66 -53.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.98 -58.28 9.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -46.12 -53.65 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . 0.447 ' HB1' ' CB ' ' A' ' 762' ' ' ALA . . . -57.68 -59.02 5.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -44.9 -42.29 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.14 -55.47 34.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 735' ' ' MET . 21.1 m-20 -52.77 -37.58 59.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . 0.484 ' CD2' HD12 ' A' ' 772' ' ' LEU . 46.2 t80 -69.96 -63.7 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -50.74 -40.38 54.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -75.39 -44.26 45.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 735' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 39.9 ttp -58.46 -38.62 77.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 736' ' ' MET . . . . . 0.483 ' HE1' ' CE2' ' A' ' 732' ' ' PHE . 44.6 mtm -71.44 -48.29 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -50.34 -40.25 48.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 739' ' ' ALA . 19.2 mt-10 -78.66 -44.32 24.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 738' ' ' GLU . . . -34.56 -40.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp 61.41 41.51 12.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 4.7 p90 -83.3 172.25 12.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -96.4 143.79 26.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.08 3.89 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.287 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -88.89 -38.42 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -44.24 149.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 11.8 t -92.35 139.89 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -43.48 -47.19 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.0 t -48.17 -40.09 22.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.27 -63.96 1.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . 0.461 ' CE2' ' NE2' ' A' ' 754' ' ' HIS . 17.4 t80 -43.26 -44.51 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -69.24 -51.28 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -54.1 -35.04 61.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -80.33 -63.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . 0.563 ' HB3' ' CD2' ' A' ' 760' ' ' PHE . 27.9 m-70 -52.08 -30.41 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . 0.535 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -40.89 -67.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -41.11 -30.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 758' ' ' SER . 7.4 t0 -70.58 103.37 2.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 758' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 757' ' ' ASP . 15.1 m -34.76 -61.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -38.92 -52.83 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 754' ' ' HIS . 18.7 t80 -53.21 -49.75 66.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 762' ' ' ALA . 39.9 mtpt -44.05 -37.59 3.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . 0.447 ' CB ' ' HB1' ' A' ' 728' ' ' ALA . . . -36.87 -42.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.066 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . 0.468 HG21 ' CG ' ' A' ' 769' ' ' ARG . 46.8 mm -82.48 92.87 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -82.55 -54.6 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -46.7 107.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 3.4 ttt -50.71 -51.32 50.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 767' ' ' LYS . 0.0 OUTLIER -46.43 -40.53 12.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.78 -48.17 69.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.468 ' CG ' HG21 ' A' ' 763' ' ' ILE . 48.0 mtp180 -49.08 -55.96 10.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -62.75 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -56.24 -66.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . 0.484 HD12 ' CD2' ' A' ' 732' ' ' PHE . 40.0 mt -45.91 -58.73 3.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -52.83 -61.84 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -39.54 -43.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -69.08 -57.74 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 776' ' ' PHE . 4.6 t80 -44.12 -52.1 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . . . . . . . . . 28.7 m -67.77 -32.97 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -56.01 -37.63 69.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.162 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -88.18 -42.07 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -57.56 -52.51 65.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 780' ' ' ALA . 12.7 ptm180 -35.86 -47.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.84 154.98 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -118.56 22.84 11.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -48.9 -23.15 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.82 141.33 39.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.407 ' HA ' ' C ' ' A' ' 792' ' ' GLY . 6.1 mp0 -120.83 84.28 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 19.5 m -71.17 143.75 50.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -75.38 -65.19 2.13 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -1.97 9.37 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 2.8 m -125.66 152.73 44.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 15.9 t -67.61 126.68 30.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . 0.407 ' C ' ' HA ' ' A' ' 786' ' ' GLU . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 8.3 t -102.54 104.46 14.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.876 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 3.3 m -88.64 153.76 20.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 84.87 -125.72 7.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 3.6 t 44.14 42.1 4.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 79.4 p -128.67 168.26 16.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 162.64 68.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.82 138.04 58.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -57.22 139.4 52.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.33 102.55 6.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 721' ' ' LYS . 11.0 tp10 -81.63 151.67 27.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 720' ' ' GLU . 4.1 ptmm? -96.13 46.95 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . 0.412 ' NZ ' ' HG2' ' A' ' 724' ' ' LYS . 1.9 mmmp? -111.69 121.13 44.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -59.39 -34.87 72.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . 0.412 ' HG2' ' NZ ' ' A' ' 722' ' ' LYS . 0.0 OUTLIER -41.85 -27.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 55.1 mt -58.63 -53.54 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 30.7 mtm -58.99 -62.84 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -44.28 -54.31 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.41 -51.68 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -56.11 -32.26 64.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.72 -55.94 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 732' ' ' PHE . 1.0 OUTLIER -52.46 -38.88 60.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . 0.494 ' CE1' ' NH2' ' A' ' 769' ' ' ARG . 11.5 t80 -70.98 -72.47 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -43.07 -36.36 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -77.66 -47.21 19.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 28.9 ttp -55.65 -38.89 70.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 736' ' ' MET . . . . . 0.481 ' HE2' ' CE2' ' A' ' 732' ' ' PHE . 58.6 mtm -72.62 -51.46 19.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -45.17 -41.69 8.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.61 -43.41 55.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -48.96 -22.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 739' ' ' ALA . 6.1 mtpm? 36.01 49.72 0.62 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 4.9 p90 -79.72 163.03 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -83.44 142.34 43.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -16.43 37.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.307 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -67.22 -34.16 76.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -53.15 169.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 36.8 p -110.32 157.0 19.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -54.52 -42.67 71.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 11.1 t -54.84 -56.42 19.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -58.13 6.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -52.04 -44.94 64.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -55.63 -40.67 72.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -79.21 -23.9 43.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -64.45 -52.55 57.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -105.47 18.24 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . . . . . . . . . . . -55.38 -37.9 68.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -95.92 20.11 10.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 757' ' ' ASP . 20.5 t0 -100.16 108.51 20.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 758' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 757' ' ' ASP . 30.4 t -36.49 -59.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . 0.425 ' CD ' ' HB2' ' A' ' 731' ' ' ASP . 9.5 mmt180 -47.78 -50.28 26.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.645 ' CE2' ' NH2' ' A' ' 769' ' ' ARG . 0.9 OUTLIER -54.39 -40.42 68.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -59.42 -29.16 67.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -42.7 -32.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . 0.416 ' HB ' ' NH1' ' A' ' 769' ' ' ARG . 6.6 mm -112.62 82.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 765' ' ' LYS . 6.9 pt-20 -78.04 -38.35 44.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 764' ' ' GLU . 27.6 mttm -48.28 94.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -41.42 -54.81 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -50.22 -47.85 54.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -61.52 -34.24 75.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.645 ' NH2' ' CE2' ' A' ' 760' ' ' PHE . 28.3 mtp85 -66.28 -54.78 20.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -54.77 -36.96 65.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -68.45 -66.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 51.3 mt -49.31 -39.68 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -69.62 -47.09 64.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -53.3 -42.51 66.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -68.33 -58.13 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 776' ' ' PHE . 11.0 t80 -44.52 -62.21 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . 0.422 ' CG2' ' N ' ' A' ' 778' ' ' ALA . 16.6 m -55.55 -44.84 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . 0.422 ' N ' ' CG2' ' A' ' 777' ' ' VAL . . . -51.03 -32.43 21.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.037 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -86.82 -38.4 16.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.05 83.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -52.45 174.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -52.69 178.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.17 -11.33 8.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -105.01 37.53 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -116.46 -179.31 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -112.09 168.1 9.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 80.2 p -122.43 -51.18 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 128.14 -95.19 0.39 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 88.56 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 39.2 p -91.34 128.22 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 35.0 p -172.8 137.04 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 2.3 t 59.99 42.03 16.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 88.3 p -122.16 126.24 47.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 71.41 166.85 7.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.524 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 19.7 m -112.28 103.27 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.351 . . . . 0.0 110.835 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 2.7 t -165.79 154.97 11.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -86.56 107.92 3.25 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -124.74 155.6 39.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.826 0.346 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -53.6 176.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -130.4 144.27 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -44.65 166.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -90.66 41.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -121.51 128.5 52.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -70.47 84.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -125.98 -49.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 5.3 mp -51.47 -55.93 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 31.4 mtp -46.19 -63.07 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -41.64 -55.4 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.67 -58.74 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -47.28 -39.03 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.82 -52.66 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . 0.454 ' HB3' ' CG ' ' A' ' 759' ' ' ARG . 9.3 m-20 -55.18 -32.53 62.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . 0.483 ' CD1' ' HE1' ' A' ' 735' ' ' MET . 53.0 t80 -78.58 -65.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . 0.451 ' HD2' ' CG ' ' A' ' 734' ' ' LYS . 0.0 OUTLIER -49.08 -37.93 22.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . 0.451 ' CG ' ' HD2' ' A' ' 733' ' ' LYS . 21.0 mttm -75.12 -41.99 57.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 735' ' ' MET . . . . . 0.483 ' HE1' ' CD1' ' A' ' 732' ' ' PHE . 7.7 tmm? -56.49 -38.78 72.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 736' ' ' MET . . . . . 0.45 ' HE3' ' CE2' ' A' ' 732' ' ' PHE . 50.5 mtm -73.56 -51.7 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -44.86 -41.56 7.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -76.48 -40.71 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -50.25 -37.44 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt 53.04 45.86 27.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -75.12 179.69 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -104.1 142.15 24.0 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -12.82 33.8 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -65.37 -40.01 93.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -60.75 144.56 52.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 8.8 t -82.64 163.94 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -57.93 -41.96 83.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 43.1 t -57.06 -55.09 39.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -58.08 -47.58 82.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.98 -39.27 88.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 755' ' ' ALA . . . -59.58 -58.78 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.054 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.4 66.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -49.87 -41.99 46.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . 0.54 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 14.8 m-70 -117.22 39.57 3.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . 0.567 ' HA ' ' CE1' ' A' ' 760' ' ' PHE . . . -93.44 -30.75 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -70.12 -18.06 63.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 758' ' ' SER . 8.3 t70 -66.02 107.31 1.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 758' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 757' ' ' ASP . 35.7 m -35.15 -60.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . 0.454 ' CG ' ' HB3' ' A' ' 731' ' ' ASP . 0.0 OUTLIER -45.37 -52.98 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' ' 755' ' ' ALA . 0.6 OUTLIER -51.88 -42.76 62.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -54.33 -30.96 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -43.41 -44.28 5.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 29.8 mm -79.71 116.09 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -105.62 -60.6 1.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -45.74 121.28 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 7.8 ttt -55.69 -55.97 25.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -40.61 -42.8 1.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -66.49 -50.07 64.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -50.94 -54.86 20.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -64.39 -40.11 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -57.58 -68.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 44.0 mt -48.2 -55.9 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . 0.439 ' CE2' HG12 ' A' ' 777' ' ' VAL . 84.2 t80 -52.25 -42.32 63.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -59.27 -42.81 92.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -65.38 -56.25 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 776' ' ' PHE . 4.4 t80 -48.91 -60.56 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . 0.439 HG12 ' CE2' ' A' ' 773' ' ' PHE . 17.0 m -57.88 -37.58 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -53.87 -40.42 66.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -85.6 -49.74 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -45.88 -50.74 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -54.95 153.44 6.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -60.23 142.02 55.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.82 33.46 5.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.35 -11.69 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.981 0.42 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -43.34 149.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -117.84 -54.51 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 16.6 t -58.24 140.29 53.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -129.16 83.43 0.33 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 156.06 64.19 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 69.2 p -162.12 165.22 27.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 84.8 p -104.28 170.17 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 4.1 m 51.22 42.13 28.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 39.8 t -87.44 147.36 25.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -77.39 115.8 4.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 17.9 t -116.3 147.34 41.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.923 0.392 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 1.3 t -103.9 96.69 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 170.21 86.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . 0.434 ' O ' ' NH2' ' A' ' 719' ' ' ARG . 0.0 OUTLIER -62.7 154.65 28.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 110.928 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.22 161.12 16.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . 0.434 ' NH2' ' O ' ' A' ' 717' ' ' GLU . 0.0 OUTLIER -69.94 96.7 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -106.88 109.35 21.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -127.48 -63.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 723' ' ' ASN . 14.1 tttp -132.99 144.34 50.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 724' ' ' LYS . 8.4 p30 -35.26 -42.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 723' ' ' ASN . 42.6 mtmt -34.67 -66.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 724' ' ' LYS . 73.2 mt -36.19 -58.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 10.0 mmt -58.38 -51.12 71.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -46.21 -61.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -57.54 -62.51 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -43.21 -37.88 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.89 -53.09 59.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 735' ' ' MET . 75.8 m-20 -54.78 -40.27 69.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . 0.539 ' CE2' ' HE2' ' A' ' 736' ' ' MET . 57.1 t80 -70.24 -64.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -48.19 -45.9 34.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -71.54 -39.68 70.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 735' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 9.0 tmm? -58.69 -45.21 89.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 736' ' ' MET . . . . . 0.539 ' HE2' ' CE2' ' A' ' 732' ' ' PHE . 39.1 mtm -67.47 -43.4 81.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -54.29 -38.42 65.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.13 -48.83 49.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -51.07 -40.34 58.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 28.5 mttm 53.87 42.42 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . 0.405 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 5.7 p90 -63.87 179.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -93.73 144.0 27.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.608 0.718 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -6.54 18.84 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.735 2.29 . . . . 0.0 112.32 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -77.32 -39.7 46.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -55.32 142.41 32.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.52 157.71 19.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . 0.556 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 2.4 t80 -53.03 -47.64 68.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 34.5 t -50.59 -51.68 46.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.96 -48.61 81.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . 0.407 ' CZ ' ' SD ' ' A' ' 736' ' ' MET . 24.1 t80 -54.38 -58.02 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 760' ' ' PHE . . . -51.53 -60.48 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -53.67 -62.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -48.89 -36.88 18.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 13.3 m-70 -110.25 30.4 6.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . 0.53 ' HA ' ' CE1' ' A' ' 760' ' ' PHE . . . -83.99 -29.27 27.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -70.23 -27.11 64.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -60.98 106.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 758' ' ' SER . . . . . . . . . . . . . 6.6 p -41.66 -59.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -45.75 -45.78 14.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 754' ' ' HIS . 3.0 t80 -61.08 -42.89 99.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -52.78 -22.08 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -50.3 -40.99 50.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 14.1 mm -88.62 95.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -87.75 -45.84 9.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -53.16 101.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 4.2 ttt -44.84 -48.32 11.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -48.69 -46.63 40.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -35.42 81.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.556 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 37.8 mtm180 -64.0 -52.79 57.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.33 -40.94 94.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -59.31 -59.84 4.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 32.0 mt -59.88 -45.59 92.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -64.58 -29.78 70.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -65.39 -54.33 30.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.04 -39.94 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . 0.405 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 43.3 t80 -55.22 -61.18 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . . . . . . . . . 13.2 m -61.99 -36.78 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -54.84 -37.28 65.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -90.39 -37.99 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -52.95 -33.46 51.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 780' ' ' ALA . 29.3 mtp180 -37.49 -57.16 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.6 149.67 26.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 784' ' ' GLU . 63.7 tttt -70.48 -57.73 4.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 783' ' ' LYS . 20.4 tp10 -35.53 -41.56 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -61.5 109.87 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -130.14 147.72 51.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 35.3 p -39.15 122.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 172.15 -74.07 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -22.66 31.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 65.9 p -91.04 87.91 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 2.6 t -129.01 109.2 11.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.459 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 39.6 m -110.77 134.69 52.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.826 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 77.8 p -84.1 160.46 20.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 714' ' ' SER . . . -174.63 75.38 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 714' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 713' ' ' GLY . 22.3 t -34.58 139.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 3.2 m -122.66 173.19 7.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -90.48 112.93 4.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -76.23 125.97 30.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -120.81 119.37 32.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -126.0 172.38 9.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -136.76 169.98 16.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -85.15 44.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -106.21 146.82 29.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 724' ' ' LYS . 22.2 m120 -66.27 -51.36 58.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 723' ' ' ASN . 26.4 mmtp -34.66 -59.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 35.2 mm -48.98 -47.43 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 16.5 mmt -62.99 -63.94 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -39.83 -57.39 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.58 -55.64 32.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -49.84 -34.55 20.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -68.46 -57.77 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . 0.416 ' HB3' ' CG ' ' A' ' 759' ' ' ARG . 0.6 OUTLIER -57.8 -27.38 63.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . 0.516 ' CE2' ' HE2' ' A' ' 736' ' ' MET . 57.3 t80 -76.9 -65.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -49.92 -37.92 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -74.89 -40.75 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 34.7 ttp -59.2 -34.88 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 736' ' ' MET . . . . . 0.516 ' HE2' ' CE2' ' A' ' 732' ' ' PHE . 67.4 mtm -75.95 -51.03 13.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -48.29 -41.62 28.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -76.44 -39.75 52.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -44.91 -30.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp 49.71 46.93 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . 0.578 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 7.3 p90 -86.12 173.14 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' A' ' 744' ' ' ARG . 24.3 p-10 -99.93 144.05 27.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.638 0.732 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.85 27.21 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . 0.461 ' HB2' ' ND2' ' A' ' 742' ' ' ASN . 30.3 mtp85 -53.4 -35.99 60.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -55.21 175.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 15.1 t -118.24 159.47 23.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -50.43 -40.07 49.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.0 t -59.26 -58.53 8.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -53.9 -46.97 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -57.02 -51.86 67.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . 0.551 ' HA ' ' CE1' ' A' ' 760' ' ' PHE . . . -54.2 -44.41 71.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -67.82 -35.91 79.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -56.59 -52.51 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 58.0 m-70 -106.93 26.78 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . 0.454 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -67.53 -15.69 63.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -110.5 17.93 20.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 758' ' ' SER . 47.6 t0 -105.99 112.96 26.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 758' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 757' ' ' ASP . 4.8 m -36.7 -57.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . 0.416 ' CG ' ' HB3' ' A' ' 731' ' ' ASP . 2.2 mpt_? -47.75 -50.16 26.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.551 ' CE1' ' HA ' ' A' ' 751' ' ' ALA . 54.8 t80 -53.91 -39.97 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -60.99 -34.73 75.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.06 -24.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.062 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . 0.478 HG13 ' CG ' ' A' ' 732' ' ' PHE . 41.2 mm -111.23 88.81 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.16 -36.4 10.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 766' ' ' MET . 66.6 mttt -53.8 102.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 766' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 765' ' ' LYS . 21.6 ttt -34.56 -69.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 768' ' ' ASP . 17.8 ptpt -39.06 -43.84 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 767' ' ' LYS . 10.5 t0 -64.74 -48.76 73.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -59.53 -54.44 46.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -63.99 -28.04 69.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -74.68 -68.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . 0.444 HD12 ' CD2' ' A' ' 732' ' ' PHE . 39.4 mt -47.13 -40.34 15.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . 0.477 ' CZ ' HG12 ' A' ' 777' ' ' VAL . 85.2 t80 -69.3 -51.09 40.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -47.18 -50.21 21.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.14 -60.69 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . 0.578 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 6.9 t80 -40.11 -60.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . 0.477 HG12 ' CZ ' ' A' ' 773' ' ' PHE . 7.6 m -62.06 -41.91 92.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . 0.467 ' N ' HG21 ' A' ' 777' ' ' VAL . . . -47.24 -33.85 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -92.17 -44.14 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -44.6 -32.09 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 781' ' ' ARG . 12.1 mtp-105 -37.75 -63.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -72.69 156.86 38.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.39 -39.58 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -88.99 63.05 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.21 157.28 40.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -132.39 126.44 33.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 89.3 p -146.9 135.52 22.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 127.23 150.75 7.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.73 4.19 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.728 2.285 . . . . 0.0 112.299 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 8.6 t 39.72 41.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 14.4 m -112.25 -45.55 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 61.2 p -111.8 42.22 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 99.1 p -71.61 94.51 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 76.17 -60.79 3.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 19.0 m -50.47 104.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.883 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 79.6 p -105.99 105.87 16.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 113.65 149.0 10.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -113.47 98.65 7.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.351 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -83.78 41.2 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.9 168.84 11.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -114.5 167.56 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -58.62 -53.62 56.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.03 95.33 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -133.57 173.29 11.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . 0.402 ' HA ' ' CD ' ' A' ' 727' ' ' GLN . 2.3 mptm? -41.59 -45.28 3.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . 0.423 ' CG2' ' HE3' ' A' ' 729' ' ' LYS . 40.9 mt -58.45 -40.18 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 6.9 mmt -67.48 -67.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . 0.402 ' CD ' ' HA ' ' A' ' 724' ' ' LYS . 14.3 pt20 -42.41 -50.18 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.917 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -60.2 -51.4 69.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . 0.423 ' HE3' ' CG2' ' A' ' 725' ' ' ILE . 42.3 mttt -53.87 -33.96 57.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.79 -51.0 60.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.47 -26.56 67.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . 0.531 ' CE2' ' HE2' ' A' ' 736' ' ' MET . 60.4 t80 -73.64 -70.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -43.36 -44.2 5.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -70.89 -35.68 72.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 45.2 ttp -64.81 -36.68 85.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 736' ' ' MET . . . . . 0.531 ' HE2' ' CE2' ' A' ' 732' ' ' PHE . 51.0 mtm -74.34 -39.43 62.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.83 -35.74 81.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 739' ' ' ALA . 9.3 pt-20 -73.86 -44.53 55.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . 0.452 ' N ' ' HG3' ' A' ' 738' ' ' GLU . . . -53.03 -39.87 63.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 27.8 mttp 60.54 38.42 18.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 5.0 p90 -66.83 174.58 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 13.7 p30 -91.5 143.92 28.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 110.944 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -28.78 24.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.372 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -59.49 -39.22 83.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -47.71 165.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 13.7 t -112.23 144.35 41.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 8.9 t80 -39.81 -49.65 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.6 t -48.34 -57.21 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . 0.423 ' N ' ' OE1' ' A' ' 749' ' ' GLU . 0.0 OUTLIER -52.64 -55.94 18.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -50.21 -45.62 53.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 755' ' ' ALA . . . -55.78 -47.16 77.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -62.03 -38.06 87.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -59.86 4.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -94.5 16.3 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . 0.535 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -53.73 -36.68 62.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -100.6 8.58 43.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 758' ' ' SER . 8.2 t70 -81.19 112.84 18.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 758' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 757' ' ' ASP . 58.0 m -34.39 -64.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -45.33 -51.31 11.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.535 ' CE2' ' HA ' ' A' ' 755' ' ' ALA . 20.1 t80 -54.44 -42.86 71.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -56.57 -32.42 65.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -47.42 -34.09 6.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 22.5 mm -112.57 98.11 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 766' ' ' MET . 1.1 tt0 -92.74 -37.07 12.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 766' ' ' MET . 63.3 mttt -49.65 87.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 766' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 764' ' ' GLU . 21.7 ttt -36.31 -48.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -49.55 -49.56 45.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.3 -41.32 96.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.563 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 50.1 mtm180 -57.57 -55.36 35.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -53.44 -43.75 68.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.28 -58.46 7.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 38.3 mt -53.37 -49.7 66.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.44 -51.86 68.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -47.07 -55.43 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -55.49 -43.63 75.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -55.26 -56.28 21.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . 0.426 HG22 ' N ' ' A' ' 778' ' ' ALA . 34.8 m -65.77 -34.04 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . 0.426 ' N ' HG22 ' A' ' 777' ' ' VAL . . . -55.27 -42.62 73.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 782' ' ' LYS . . . -87.29 -45.23 10.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -43.14 -39.79 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.079 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -73.81 -33.01 64.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 779' ' ' ALA . 8.3 tmtm? -50.84 -64.14 0.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 785' ' ' LYS . 0.1 OUTLIER -110.28 30.8 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.826 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -42.84 -23.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 783' ' ' LYS . 19.6 tptp -72.54 -56.64 5.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -76.49 83.8 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 91.6 p -59.0 -48.25 82.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 164.69 146.17 4.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.83 3.97 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 2.8 t -45.03 96.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 9.0 m -164.41 165.58 21.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.508 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 48.3 m -93.49 133.99 36.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 712' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 713' ' ' GLY . 22.7 t -97.1 109.2 22.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.88 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 712' ' ' SER . . . 37.08 -156.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 88.5 p -109.61 145.28 36.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 43.5 t -109.54 150.59 27.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -67.77 138.85 33.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -111.24 176.96 4.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.371 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -83.25 -56.56 3.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -130.41 126.6 37.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.9 -40.81 46.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -53.9 18.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -54.3 111.76 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -77.97 -32.17 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 725' ' ' ILE . 8.7 tppt? -39.86 -56.39 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 724' ' ' LYS . 40.8 mt -35.64 -50.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 62.0 mtp -64.18 -57.1 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -45.22 -57.67 3.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.31 -65.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -42.98 -40.38 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . 0.405 ' C ' ' OE1' ' A' ' 730' ' ' GLU . 0.0 OUTLIER -57.35 -56.87 16.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 735' ' ' MET . 1.1 m-20 -58.83 -40.61 84.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . 0.566 ' CD2' HD12 ' A' ' 772' ' ' LEU . 21.7 t80 -65.91 -68.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -43.91 -48.27 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -70.1 -38.51 75.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 735' ' ' MET . . . . . 0.564 ' CE ' ' CD1' ' A' ' 732' ' ' PHE . 8.7 tmm? -59.66 -44.82 93.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 736' ' ' MET . . . . . 0.463 ' HE3' ' CE2' ' A' ' 732' ' ' PHE . 46.6 mtm -69.78 -46.48 65.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -48.47 -44.6 35.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -68.7 -52.89 26.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -39.02 -44.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 43.5 mttt 55.97 41.8 29.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 5.6 p90 -68.9 176.17 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -91.91 143.91 28.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.622 0.725 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -26.46 27.4 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -54.76 -38.88 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -57.26 153.36 12.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 11.8 t -94.69 165.82 12.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -60.54 -42.79 97.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 3.9 t -56.08 -54.67 42.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . 0.474 ' O ' ' CG ' ' A' ' 753' ' ' LYS . 6.4 mm-40 -55.34 -44.78 76.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -64.18 -37.1 86.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -60.42 -57.34 13.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.75 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 749' ' ' GLU . 2.7 mmmm -69.91 -40.66 75.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . 0.543 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 63.1 m-70 -113.02 31.18 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . 0.549 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -76.26 -52.5 9.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -54.53 -24.36 20.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 758' ' ' SER . 16.8 t70 -59.99 103.19 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 758' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 757' ' ' ASP . 32.3 t -34.75 -60.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -43.77 -52.55 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.549 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 1.4 t80 -53.43 -44.4 68.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -58.09 -32.34 67.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -49.82 -27.58 5.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.07 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 27.9 mm -86.08 133.63 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -122.41 -61.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -44.4 111.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 6.5 ttt -50.03 -53.44 26.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -43.1 -42.07 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.07 -47.38 71.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -54.2 -48.08 71.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -70.78 -60.58 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -46.5 -51.38 15.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . 0.566 HD12 ' CD2' ' A' ' 732' ' ' PHE . 34.3 mt -56.39 -58.47 7.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . 0.513 ' CE2' HG12 ' A' ' 777' ' ' VAL . 87.1 t80 -55.54 -63.78 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 773' ' ' PHE . 74.4 m-20 -34.98 -65.39 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -47.39 -50.69 21.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 736' ' ' MET . 15.1 t80 -49.66 -62.63 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . 0.513 HG12 ' CE2' ' A' ' 773' ' ' PHE . 26.7 m -56.94 -28.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . 0.455 ' N ' HG21 ' A' ' 777' ' ' VAL . . . -62.06 -42.11 98.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -87.4 -34.74 18.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -57.81 -46.38 84.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -57.98 169.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -99.71 -37.18 9.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -84.17 28.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 785' ' ' LYS . 3.5 pt-20 -67.76 -2.92 7.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 784' ' ' GLU . 18.4 tptp -34.32 127.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -123.3 126.63 47.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 40.0 m -94.06 149.34 21.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 62.5 156.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 122.4 9.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.323 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 50.9 m -68.26 -50.43 53.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 1.8 m 54.44 41.85 31.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 711' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 712' ' ' SER . 5.6 m -128.3 123.04 33.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.35 . . . . 0.0 110.904 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 712' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 711' ' ' SER . 25.7 p -37.87 -41.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 52.43 -114.94 3.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 2.2 m -131.34 156.63 45.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 90.3 p -117.29 157.14 26.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 127.98 65.68 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . 0.414 ' N ' ' OE1' ' A' ' 717' ' ' GLU . 0.5 OUTLIER -74.2 124.59 26.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 110.917 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -99.75 -56.57 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -95.22 126.01 40.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -102.44 -48.41 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -67.34 -61.06 2.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -81.47 99.67 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -82.35 86.86 6.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 724' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 725' ' ' ILE . 22.8 tptt -118.14 -68.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 725' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 724' ' ' LYS . 3.5 mp -36.42 -64.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -47.12 -54.56 10.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -39.34 -58.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 728' ' ' ALA . . . . . 0.441 ' HB1' ' CB ' ' A' ' 762' ' ' ALA . . . -54.7 -41.35 70.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -62.73 -36.99 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.53 -57.96 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 731' ' ' ASP . . . . . 0.452 ' HB3' ' CG ' ' A' ' 759' ' ' ARG . 1.1 m-20 -61.05 -25.0 66.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 732' ' ' PHE . . . . . 0.544 ' CE2' ' HE2' ' A' ' 736' ' ' MET . 67.3 t80 -77.13 -64.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -51.84 -42.73 62.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -69.41 -39.75 77.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 30.5 ttp -58.36 -48.74 79.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 736' ' ' MET . . . . . 0.544 ' HE2' ' CE2' ' A' ' 732' ' ' PHE . 53.5 mtm -63.02 -44.1 96.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.54 -45.7 63.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.17 -45.25 85.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 739' ' ' ALA . . . . . 0.466 ' O ' ' CG ' ' A' ' 740' ' ' LYS . . . -59.12 -34.11 71.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 740' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 739' ' ' ALA . 18.3 pttp 46.81 40.92 9.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -56.3 175.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -91.75 142.55 26.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.73 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.86 19.58 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -77.63 -33.56 53.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -58.45 153.29 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.56 148.44 22.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 747' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 4.0 t80 -44.55 -35.23 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 12.2 t -66.59 -55.47 15.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 749' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 753' ' ' LYS . 34.2 mt-10 -52.49 -35.64 53.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -73.75 -39.4 64.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 751' ' ' ALA . . . . . 0.43 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -61.2 -49.53 76.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -72.28 -47.23 51.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 753' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 749' ' ' GLU . 0.0 OUTLIER -50.49 -39.85 49.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -110.57 17.81 20.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 755' ' ' ALA . . . . . . . . . . . . . . . -63.54 -8.94 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 -11.89 16.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 757' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 758' ' ' SER . 10.3 t0 -71.3 108.67 4.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 758' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 757' ' ' ASP . 2.1 t -36.77 -59.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 759' ' ' ARG . . . . . 0.452 ' CG ' ' HB3' ' A' ' 731' ' ' ASP . 2.2 mpt_? -46.69 -49.62 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 760' ' ' PHE . . . . . 0.43 ' CE2' ' HA ' ' A' ' 751' ' ' ALA . 35.0 t80 -55.39 -41.77 73.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -57.69 -25.2 59.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 762' ' ' ALA . . . . . 0.441 ' CB ' ' HB1' ' A' ' 728' ' ' ALA . . . -61.54 -37.92 85.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . 0.414 HG13 ' CG ' ' A' ' 732' ' ' PHE . 19.6 mm -91.82 77.06 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -78.71 -31.59 46.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 765' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 765' ' ' LYS . 0.0 OUTLIER -59.5 89.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 2.6 ttt -39.4 -39.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.97 -54.8 38.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -60.89 -32.37 71.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 769' ' ' ARG . . . . . 0.567 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 40.0 mtm180 -63.39 -51.32 66.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -65.55 -35.36 80.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -70.98 -62.7 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 772' ' ' LEU . . . . . 0.485 HD11 ' CD2' ' A' ' 732' ' ' PHE . 46.3 mt -51.98 -40.42 60.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 773' ' ' PHE . . . . . 0.459 ' CE1' HG11 ' A' ' 777' ' ' VAL . 40.1 t80 -71.84 -49.5 37.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -46.38 -43.29 16.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.56 -48.24 49.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -47.37 -56.44 6.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 777' ' ' VAL . . . . . 0.47 ' CG2' ' N ' ' A' ' 778' ' ' ALA . 24.7 m -62.91 -50.6 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 778' ' ' ALA . . . . . 0.47 ' N ' ' CG2' ' A' ' 777' ' ' VAL . . . -39.05 -42.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -86.35 -42.32 13.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -49.95 -27.62 5.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -94.17 36.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -159.87 159.55 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 1.2 pmtp? -126.7 -30.65 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -111.84 37.05 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -77.93 54.44 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -64.19 -41.32 97.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 2.6 t -46.4 -52.0 13.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 102.86 -164.18 16.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -30.02 23.0 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 22.2 m -126.72 148.57 49.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 32.3 t -96.18 -49.89 5.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.822 0.344 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 36.1 mmt -42.6 -61.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -44.9 -60.87 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -53.69 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -41.28 -40.06 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -63.47 -56.84 12.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 731' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 735' ' ' MET . 5.8 m-20 -56.41 -35.45 67.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 732' ' ' PHE . . . . . 0.402 ' CD2' HD13 ' A' ' 772' ' ' LEU . 18.8 t80 -70.47 -65.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -50.96 -40.14 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -73.45 -44.69 57.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 735' ' ' MET . . . . . 0.461 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 38.7 ttp -54.38 -43.52 71.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 55.0 mtm -69.29 -47.17 65.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.01 -36.38 28.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -76.22 -44.42 37.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -55.06 -39.38 69.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt 50.57 45.25 26.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 741' ' ' PHE . . . . . 0.451 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 4.6 p90 -68.26 173.58 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -90.78 143.94 29.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -20.61 34.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.275 . . . . 0.0 112.361 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -60.69 -37.68 82.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -60.96 160.09 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 746' ' ' THR . . . . . 0.672 HG23 ' H ' ' A' ' 749' ' ' GLU . 8.8 t -98.96 154.03 18.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 747' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 769' ' ' ARG . 11.6 t80 -52.74 -44.68 66.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.9 t -51.88 -52.94 46.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 749' ' ' GLU . . . . . 0.672 ' H ' HG23 ' A' ' 746' ' ' THR . 18.0 mm-40 -58.52 -51.99 67.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -52.85 -49.64 65.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.538 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -51.28 -57.28 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.91 94.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -55.79 -41.76 74.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 754' ' ' HIS . . . . . 0.471 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 71.1 m-70 -114.82 31.11 6.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.565 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -77.14 -41.24 42.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -58.58 -26.01 63.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 757' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.1 t70 -61.21 102.91 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 758' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 757' ' ' ASP . 23.2 t -34.58 -59.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 12.5 mtm-85 -46.4 -51.94 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 6.7 t80 -51.56 -41.99 61.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -56.38 -34.48 66.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.94 -40.28 13.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 763' ' ' ILE . . . . . 0.634 HG22 ' HG3' ' A' ' 769' ' ' ARG . 39.4 mm -86.28 94.17 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -96.63 -44.92 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -43.12 100.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 5.8 ttt -41.59 -53.91 3.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -50.69 -44.85 58.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -59.7 -44.33 93.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.634 ' HG3' HG22 ' A' ' 763' ' ' ILE . 37.1 mtp180 -65.04 -52.05 58.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -59.97 -35.94 76.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -70.37 -60.37 2.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 772' ' ' LEU . . . . . 0.402 HD13 ' CD2' ' A' ' 732' ' ' PHE . 36.0 mt -54.45 -39.93 67.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 773' ' ' PHE . . . . . 0.497 ' CE2' HG11 ' A' ' 777' ' ' VAL . 80.3 t80 -70.51 -52.67 20.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -47.31 -49.7 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -63.4 -45.29 91.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 776' ' ' PHE . . . . . 0.451 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 42.3 t80 -55.57 -54.74 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.497 HG11 ' CE2' ' A' ' 773' ' ' PHE . 17.7 m -66.74 -38.45 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -54.41 -37.19 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -89.34 -36.94 15.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -53.25 -46.95 69.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 89.0 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.786 0.327 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 8.0 mmt -54.06 -63.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -43.95 -61.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -51.5 -60.1 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -45.95 -37.62 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -62.3 -50.75 70.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 731' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 735' ' ' MET . 0.9 OUTLIER -64.52 -29.03 70.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 732' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -74.18 -61.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -50.49 -45.22 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -72.07 -37.51 69.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 735' ' ' MET . . . . . 0.483 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 11.2 tmm? -62.59 -32.05 72.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 43.8 mtm -79.01 -43.02 25.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.83 -32.84 74.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 738' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 739' ' ' ALA . 12.6 pt-20 -77.52 -49.0 15.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 739' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 738' ' ' GLU . . . -53.66 -30.2 42.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt 47.76 47.98 17.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 741' ' ' PHE . . . . . 0.548 ' CZ ' ' CD1' ' A' ' 776' ' ' PHE . 28.6 p90 -68.93 178.61 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -102.28 144.08 27.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -15.04 37.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -67.52 -24.61 65.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -72.3 147.58 46.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 746' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 749' ' ' GLU . 14.7 t -98.84 146.17 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -41.17 -38.84 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 1.6 t -54.88 -54.4 43.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 749' ' ' GLU . . . . . 0.411 ' H ' HG23 ' A' ' 746' ' ' THR . 9.5 mt-10 -69.78 -52.36 25.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.406 ' CE1' ' CE1' ' A' ' 754' ' ' HIS . 24.0 t80 -48.46 -39.4 22.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.567 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -71.62 -54.61 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -54.6 -28.92 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -85.34 -61.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 754' ' ' HIS . . . . . 0.406 ' CE1' ' CE1' ' A' ' 750' ' ' PHE . 22.5 m-70 -62.45 -9.5 8.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -59.05 -53.69 55.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -49.17 -21.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 757' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 758' ' ' SER . 11.0 t70 -76.76 102.6 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 758' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 757' ' ' ASP . 71.6 m -35.24 -61.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -39.2 -51.77 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 760' ' ' PHE . 4.8 t80 -54.59 -49.47 70.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -46.72 -28.71 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.95 -50.32 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 34.7 mm -83.37 94.71 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 764' ' ' GLU . . . . . 0.421 ' O ' ' NH2' ' A' ' 769' ' ' ARG . 11.1 pt-20 -82.96 -29.45 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -58.51 99.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.7 ttt -50.14 -41.02 48.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -58.58 -47.74 83.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.66 -49.46 77.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.421 ' NH2' ' O ' ' A' ' 764' ' ' GLU . 42.0 mtm180 -49.64 -52.83 27.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -58.54 -38.01 76.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -65.58 -63.02 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 68.9 mt -54.45 -45.65 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -64.36 -43.1 95.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 774' ' ' ASN . . . . . 0.506 ' O ' HG22 ' A' ' 777' ' ' VAL . 44.6 m-20 -56.99 -56.03 27.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -54.94 -44.45 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 776' ' ' PHE . . . . . 0.548 ' CD1' ' CZ ' ' A' ' 741' ' ' PHE . 9.5 t80 -56.32 -55.25 35.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 774' ' ' ASN . 33.2 m -64.66 -33.13 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.0 83.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -81.46 -38.74 25.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -48.61 -51.22 29.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.924 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.833 0.349 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 16.8 mmt -55.2 -69.71 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -38.98 -60.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -49.61 -53.43 24.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -56.82 -34.65 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.3 -57.14 14.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.57 -31.75 66.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 732' ' ' PHE . . . . . 0.573 ' CD1' HG13 ' A' ' 763' ' ' ILE . 34.9 t80 -71.69 -67.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -45.31 -42.34 9.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -73.62 -39.79 64.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 54.0 ttp -60.37 -44.52 95.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 41.9 mtm -67.89 -44.45 76.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.63 -42.35 64.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.6 -51.28 44.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 739' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -54.46 -27.97 41.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 740' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 739' ' ' ALA . 0.1 OUTLIER 36.51 36.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 741' ' ' PHE . . . . . 0.55 ' HE1' HG12 ' A' ' 777' ' ' VAL . 6.1 p90 -52.01 -178.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -93.76 144.22 27.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -31.14 21.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -55.99 -35.3 66.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -49.97 179.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 746' ' ' THR . . . . . 0.547 HG23 ' H ' ' A' ' 749' ' ' GLU . 6.4 t -129.94 148.17 51.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.11 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -38.74 -51.09 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.6 t -49.29 -56.19 10.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 749' ' ' GLU . . . . . 0.547 ' H ' HG23 ' A' ' 746' ' ' THR . 28.8 mm-40 -54.58 -54.57 39.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -50.77 -46.93 59.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.639 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -57.52 -45.78 84.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 752' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 755' ' ' ALA . . . -68.64 -32.76 72.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -61.03 -46.26 91.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -111.89 16.13 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -55.77 -32.04 63.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -96.43 11.99 32.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 757' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 758' ' ' SER . 17.9 t0 -93.18 108.81 20.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 758' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 757' ' ' ASP . 4.6 m -36.9 -56.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 71.2 mmt-85 -50.82 -50.67 55.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 751' ' ' ALA . 29.3 t80 -53.81 -35.9 61.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -60.67 -29.86 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -55.2 -17.51 4.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 763' ' ' ILE . . . . . 0.85 HG22 ' HG3' ' A' ' 769' ' ' ARG . 25.8 mm -115.32 88.98 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -95.53 -39.16 10.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -44.11 98.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 12.3 ttt -43.42 -40.76 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -49.67 74.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.29 -40.21 95.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.85 ' HG3' HG22 ' A' ' 763' ' ' ILE . 41.9 mtp180 -65.57 -49.09 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.432 ' HG2' ' ND2' ' A' ' 774' ' ' ASN . 19.0 tt0 -65.56 -35.87 82.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -72.55 -68.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 40.7 mt -45.62 -39.03 7.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -73.84 -55.59 6.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 774' ' ' ASN . . . . . 0.432 ' ND2' ' HG2' ' A' ' 770' ' ' GLU . 62.0 m-20 -45.56 -46.17 14.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -66.39 -54.67 21.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -43.81 -54.75 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.55 HG12 ' HE1' ' A' ' 741' ' ' PHE . 25.7 m -64.61 -35.12 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -57.18 -32.43 66.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -93.72 -44.68 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 780' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -49.58 -32.73 13.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 781' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 780' ' ' ALA . 32.6 mtp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 46.6 mt . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.827 0.346 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 5.7 mmt -55.25 -60.97 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -43.06 -60.4 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -51.34 -61.03 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -45.31 -40.51 7.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -57.68 -59.17 5.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 731' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 735' ' ' MET . 60.0 m-20 -50.23 -34.06 21.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 732' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -73.16 -65.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -45.74 -43.05 12.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 734' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 734' ' ' LYS . 0.0 OUTLIER -74.25 -39.64 62.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 735' ' ' MET . . . . . 0.412 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 41.1 ttp -59.56 -46.03 90.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 36.5 mtm -68.69 -41.97 78.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -52.61 -45.01 66.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -69.66 -44.61 70.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -47.93 -34.7 9.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt 41.35 38.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -66.95 -178.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -95.86 144.08 27.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -3.32 11.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.236 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -77.99 -34.11 51.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -58.55 162.46 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 11.6 t -114.57 165.36 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 747' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 13.7 t80 -56.51 -35.32 67.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 6.4 t -55.4 -52.72 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -70.02 -55.47 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -44.96 -44.09 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -69.3 -53.75 18.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -52.2 -31.25 30.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -83.7 -63.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -58.95 -16.8 19.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -47.98 -59.81 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -48.93 -24.35 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 757' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -71.48 102.9 2.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 758' ' ' SER . . . . . . . . . . . . . 46.3 m -38.92 -59.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 45.3 mtt85 -40.94 -51.3 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 760' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.67 -47.85 73.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -45.48 -33.1 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -47.36 -47.53 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 16.1 mm -76.55 92.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -83.01 -27.82 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -64.96 96.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 3.1 ttp -48.79 -42.17 34.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -60.12 -46.72 88.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.12 -46.83 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.483 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 60.5 mtm180 -56.07 -53.5 56.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.59 -29.98 66.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -72.87 -55.48 6.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 29.2 mt -63.47 -33.03 74.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 773' ' ' PHE . . . . . 0.654 ' O ' HG13 ' A' ' 777' ' ' VAL . 23.3 t80 -76.84 -37.14 56.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -62.59 -47.75 82.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 775' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 776' ' ' PHE . 12.2 pt-20 -68.73 -46.78 68.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 776' ' ' PHE . . . . . 0.42 ' N ' ' HG3' ' A' ' 775' ' ' GLU . 23.4 t80 -53.35 -55.65 23.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 773' ' ' PHE . 10.6 m -62.68 -40.95 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 778' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -54.06 -35.3 61.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -84.23 -43.56 14.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -48.45 -40.35 25.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.908 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -59.8 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -47.23 -51.71 17.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 728' ' ' ALA . . . . . 0.446 ' HB1' HD13 ' A' ' 763' ' ' ILE . . . -62.49 -52.93 61.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -54.13 -33.16 57.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -66.12 -56.43 11.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 731' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 735' ' ' MET . 0.2 OUTLIER -54.83 -30.23 56.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 732' ' ' PHE . . . . . 0.471 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 43.2 t80 -78.3 -62.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -49.97 -42.43 48.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -73.05 -42.24 63.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 735' ' ' MET . . . . . 0.471 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 9.3 tmm? -57.08 -49.37 76.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 736' ' ' MET . . . . . 0.521 ' HG2' ' CZ ' ' A' ' 750' ' ' PHE . 42.3 mtm -64.87 -43.29 93.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -51.63 -41.92 61.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -70.2 -45.58 66.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 739' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -57.42 -32.54 66.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 740' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 739' ' ' ALA . 18.3 ttpt 34.38 36.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 741' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 739' ' ' ALA . 4.8 p90 -55.11 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -94.29 144.0 27.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.594 0.711 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -11.65 31.29 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -67.06 -31.5 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -67.38 166.56 14.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 746' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 749' ' ' GLU . 14.9 t -105.75 164.59 11.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -55.51 -39.53 70.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 7.3 t -63.69 -47.73 80.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.81 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 749' ' ' GLU . . . . . 0.676 ' H ' HG23 ' A' ' 746' ' ' THR . 38.5 mm-40 -59.64 -44.92 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.521 ' CZ ' ' HG2' ' A' ' 736' ' ' MET . 21.0 t80 -62.05 -49.62 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.651 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -53.49 -60.27 3.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.095 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.45 34.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -45.8 -45.14 14.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 754' ' ' HIS . . . . . 0.543 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 10.0 m-70 -114.45 37.17 3.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -86.69 -36.51 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -61.39 -27.27 68.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 757' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 758' ' ' SER . 36.9 t70 -60.54 102.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 758' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 757' ' ' ASP . 28.4 t -35.13 -59.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.847 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -44.56 -53.49 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 1.3 t80 -52.02 -43.45 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -55.82 -32.77 63.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -42.47 -36.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 763' ' ' ILE . . . . . 0.617 HG22 ' HG3' ' A' ' 769' ' ' ARG . 44.4 mm -96.55 97.71 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -97.49 -33.33 11.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -48.2 100.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 9.6 ttt -44.62 -44.66 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -59.22 -48.14 82.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -62.01 -42.88 99.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.617 ' HG3' HG22 ' A' ' 763' ' ' ILE . 59.1 mtp180 -63.99 -46.0 86.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -65.31 -43.83 89.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -66.22 -65.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 41.3 mt -47.07 -44.07 20.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -67.58 -54.49 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 774' ' ' ASN . . . . . 0.454 ' O ' HG22 ' A' ' 777' ' ' VAL . 80.9 m-20 -45.37 -51.89 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 775' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 776' ' ' PHE . 10.6 pt-20 -63.1 -39.97 96.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 776' ' ' PHE . . . . . 0.416 ' N ' ' HG3' ' A' ' 775' ' ' GLU . 62.3 t80 -54.83 -58.4 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 774' ' ' ASN . 34.7 m -59.27 -36.4 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -55.81 -43.4 76.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -83.92 -32.89 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -53.75 -41.07 66.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 75.2 mt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.841 0.353 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 46.3 mmm -63.41 -63.55 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -46.23 -39.0 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -71.19 -43.52 67.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -61.04 -32.16 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.26 -49.18 24.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -62.95 -24.49 67.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 732' ' ' PHE . . . . . 0.523 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 35.8 t80 -77.44 -65.6 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 733' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 734' ' ' LYS . 8.6 ptpp? -49.66 -39.43 36.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 734' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 733' ' ' LYS . 68.6 mttt -73.77 -43.9 57.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 735' ' ' MET . . . . . 0.523 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 8.5 tmm? -57.7 -42.18 83.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 52.5 mtm -68.4 -47.62 66.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -50.25 -42.07 51.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -70.64 -45.89 64.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 739' ' ' ALA . . . . . 0.469 ' HB1' ' CE1' ' A' ' 754' ' ' HIS . . . -46.53 -32.15 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt 55.18 48.95 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 741' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 3.5 p90 -87.62 161.88 17.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -91.53 144.54 29.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -15.12 36.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -62.4 -39.83 94.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -57.63 144.4 37.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 746' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 749' ' ' GLU . 8.6 t -82.67 143.14 31.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -38.62 -47.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 43.8 t -52.93 -52.91 56.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 749' ' ' GLU . . . . . 0.654 ' H ' HG23 ' A' ' 746' ' ' THR . 11.0 mt-10 -58.93 -46.76 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -58.55 -62.15 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.548 ' HB1' HH21 ' A' ' 769' ' ' ARG . . . -41.6 -53.26 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -67.97 -28.84 67.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 753' ' ' LYS . . . . . 0.406 ' HA ' ' CE ' ' A' ' 753' ' ' LYS . 0.0 OUTLIER -69.55 -37.2 76.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 754' ' ' HIS . . . . . 0.469 ' CE1' ' HB1' ' A' ' 739' ' ' ALA . 46.9 m80 -116.76 31.73 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.51 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -75.78 -39.79 56.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -59.9 -29.79 68.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 757' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.4 t70 -60.98 101.55 0.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 758' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 757' ' ' ASP . 11.8 t -35.5 -61.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -41.88 -53.87 3.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.51 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 5.0 t80 -51.89 -46.42 64.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -51.13 -37.6 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.21 -42.29 6.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 763' ' ' ILE . . . . . 0.569 HG22 ' HG3' ' A' ' 769' ' ' ARG . 35.0 mm -84.34 96.49 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -99.58 -37.5 9.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -46.46 100.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 13.5 ttt -42.48 -41.7 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -62.23 -47.01 86.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.45 -41.06 96.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.569 ' HG3' HG22 ' A' ' 763' ' ' ILE . 59.2 mtp180 -65.46 -52.14 55.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 774' ' ' ASN . 15.4 tt0 -61.14 -35.01 75.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -75.12 -68.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 47.7 mt -42.8 -42.19 3.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 773' ' ' PHE . . . . . 0.494 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 66.5 t80 -68.84 -49.6 57.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 774' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 770' ' ' GLU . 77.1 m-20 -50.28 -41.03 50.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -67.63 -56.3 9.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -47.72 -56.34 7.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.494 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 25.6 m -61.4 -43.43 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 778' ' ' ALA . . . . . 0.494 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -48.78 -42.96 37.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -81.86 -41.96 20.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -46.07 -45.22 16.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.923 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.1 mm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.811 0.339 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 9.2 mmt -56.85 -58.51 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.26 -55.32 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -57.25 -61.19 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -43.0 -39.73 2.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.06 -51.81 65.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 731' ' ' ASP . . . . . 0.449 ' OD1' ' C ' ' A' ' 731' ' ' ASP . 0.2 OUTLIER -57.75 -29.36 64.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 732' ' ' PHE . . . . . 0.41 ' CD2' HD13 ' A' ' 772' ' ' LEU . 39.0 t80 -75.32 -69.21 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 733' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 734' ' ' LYS . 0.0 OUTLIER -46.42 -39.85 11.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 734' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 733' ' ' LYS . 34.7 mttp -72.9 -41.67 64.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 26.4 ttp -56.8 -43.09 80.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 736' ' ' MET . . . . . 0.441 ' SD ' ' CZ ' ' A' ' 750' ' ' PHE . 52.6 mtm -69.61 -46.23 66.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -48.29 -45.99 35.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -69.02 -46.55 67.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -43.85 -46.0 7.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt 62.93 42.9 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -77.29 176.19 9.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -101.25 143.95 27.6 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -5.88 17.28 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.252 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -77.35 -36.6 53.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -48.58 165.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.27 142.38 37.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -42.8 -49.33 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 1.3 t -48.76 -42.94 37.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.79 -65.31 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.492 ' CE2' ' NE2' ' A' ' 754' ' ' HIS . 28.8 t80 -40.21 -41.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -70.68 -48.61 53.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -52.61 -38.53 60.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -79.92 -62.0 1.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 754' ' ' HIS . . . . . 0.492 ' NE2' ' CE2' ' A' ' 750' ' ' PHE . 30.1 m-70 -55.02 -21.42 12.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -48.78 -56.97 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -53.83 -29.36 40.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 757' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 758' ' ' SER . 19.8 t0 -62.0 102.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 758' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 757' ' ' ASP . 15.5 m -34.63 -62.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -40.03 -54.22 2.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 760' ' ' PHE . 4.9 t80 -51.12 -47.95 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -48.41 -22.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -57.04 -38.44 73.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 43.1 mm -86.87 120.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 764' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 765' ' ' LYS . 1.6 tt0 -105.84 -58.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 765' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 764' ' ' GLU . 12.5 mmtp -36.64 111.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.29 -48.05 71.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -54.54 -34.93 62.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -68.22 -44.27 76.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -60.23 -50.89 71.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -68.67 -37.77 79.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -62.93 -66.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 772' ' ' LEU . . . . . 0.41 HD13 ' CD2' ' A' ' 732' ' ' PHE . 36.6 mt -49.49 -48.2 48.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -59.35 -41.52 89.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 774' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 778' ' ' ALA . 2.7 m120 -60.58 -42.93 97.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.21 -55.17 20.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -47.33 -63.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 778' ' ' ALA . 11.9 m -55.88 -43.71 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 778' ' ' ALA . . . . . 0.505 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -48.14 -40.4 23.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -88.17 -35.67 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -52.99 -49.25 66.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.896 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 93.5 mt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.882 0.372 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 76.9 mtm -56.39 -59.46 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -48.04 -57.12 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -57.19 -63.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -44.11 -38.33 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -61.69 -50.01 74.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.99 -30.23 71.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.813 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 732' ' ' PHE . . . . . 0.539 ' CD2' HD13 ' A' ' 772' ' ' LEU . 39.9 t80 -71.92 -64.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -47.6 -41.08 21.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -75.86 -37.68 58.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 49.1 ttp -60.65 -34.71 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 54.6 mtm -78.71 -47.69 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.79 -41.64 44.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -76.43 -48.65 18.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -38.47 -42.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp 61.91 43.35 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 741' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 5.9 p90 -78.93 177.31 8.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -103.98 143.97 27.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -7.38 20.93 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.706 2.27 . . . . 0.0 112.336 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 58.3 mmt-85 -79.11 -40.05 32.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -49.03 145.59 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 746' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 749' ' ' GLU . 7.9 t -86.37 135.54 33.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 747' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 7.5 t80 -38.02 -43.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 26.1 t -52.22 -44.91 65.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 749' ' ' GLU . . . . . 0.526 ' H ' HG23 ' A' ' 746' ' ' THR . 5.9 mt-10 -70.87 -54.49 11.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -50.86 -40.76 57.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -68.02 -50.08 57.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -56.82 -43.06 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -69.16 -55.14 11.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -66.94 -8.05 26.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.529 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -54.78 -61.87 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -45.28 -28.95 0.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 757' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.1 t70 -62.93 101.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 758' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 757' ' ' ASP . 8.9 t -37.54 -56.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 759' ' ' ARG . . . . . 0.437 ' NE ' ' HA ' ' A' ' 759' ' ' ARG . 15.8 mmp_? -45.85 -49.38 15.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.529 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 13.1 t80 -55.74 -42.82 75.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -53.21 -17.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -65.52 -37.48 86.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 29.1 mm -90.29 113.75 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 764' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 766' ' ' MET . 1.4 tt0 -106.15 -47.13 3.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -39.46 94.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 766' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 764' ' ' GLU . 10.6 ttt -42.54 -48.04 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.827 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -53.85 -43.29 69.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -63.22 -40.22 96.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.466 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 49.5 mtt180 -56.73 -55.49 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -65.24 -32.69 74.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.86 -62.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 772' ' ' LEU . . . . . 0.539 HD13 ' CD2' ' A' ' 732' ' ' PHE . 29.5 mt -54.33 -46.76 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 773' ' ' PHE . . . . . 0.424 ' O ' HG13 ' A' ' 777' ' ' VAL . 90.4 t80 -62.82 -40.55 97.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -59.34 -42.57 91.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.92 -62.91 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -39.29 -60.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.482 HG23 ' N ' ' A' ' 778' ' ' ALA . 6.9 m -59.42 -43.07 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 778' ' ' ALA . . . . . 0.482 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -50.27 -40.91 49.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -90.49 -25.36 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 780' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' A' ' 777' ' ' VAL . . . -68.74 -35.71 77.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 16.1 mtm -53.47 -54.91 30.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -49.62 -59.3 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.31 -60.76 3.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -45.71 -41.22 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -58.45 -51.76 68.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -58.68 -28.51 65.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 732' ' ' PHE . . . . . 0.651 ' CD2' HD13 ' A' ' 772' ' ' LEU . 17.0 t80 -76.63 -67.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -44.71 -39.73 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -76.01 -43.27 45.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 735' ' ' MET . . . . . 0.442 ' HE2' ' CD1' ' A' ' 732' ' ' PHE . 33.3 ttp -57.4 -42.92 83.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 56.1 mtm -70.48 -45.98 64.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -48.59 -43.89 36.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -73.31 -40.48 64.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -43.97 -43.99 6.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 61.1 mttt 57.23 47.03 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 741' ' ' PHE . . . . . 0.529 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 5.1 p90 -80.65 173.91 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.14 142.77 25.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -11.89 31.83 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.368 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 42.3 mmt-85 -85.06 0.5 51.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -80.37 166.4 21.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 746' ' ' THR . . . . . 0.655 HG23 ' H ' ' A' ' 749' ' ' GLU . 2.3 t -107.91 131.67 54.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -38.5 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 748' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 746' ' ' THR . 16.0 m -65.57 -60.17 3.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 749' ' ' GLU . . . . . 0.655 ' H ' HG23 ' A' ' 746' ' ' THR . 25.8 mm-40 -55.03 -44.25 74.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -59.98 -52.48 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 755' ' ' ALA . . . -51.95 -61.19 2.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -57.15 -54.91 41.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -49.93 -37.81 33.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 754' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 66.3 m-70 -113.37 26.41 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.554 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -80.93 -34.69 33.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -69.53 -22.43 63.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 757' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.3 t70 -61.37 105.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 758' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 757' ' ' ASP . 11.9 t -34.83 -59.62 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -46.02 -53.32 10.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.554 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 2.7 t80 -52.18 -41.66 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -60.11 -36.37 77.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.49 -29.94 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 10.5 mm -88.15 136.74 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -124.18 -59.71 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -39.33 114.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 8.1 ttt -55.69 -51.37 67.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 767' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 771' ' ' ALA . 0.9 OUTLIER -48.74 -35.75 14.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.94 -52.18 31.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -52.03 -51.0 60.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.61 -55.65 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 771' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 767' ' ' LYS . . . -45.21 -52.38 9.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 772' ' ' LEU . . . . . 0.651 HD13 ' CD2' ' A' ' 732' ' ' PHE . 35.8 mt -59.39 -58.43 8.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 773' ' ' PHE . . . . . 0.457 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 91.0 t80 -51.48 -34.53 36.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -61.54 -57.28 12.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -59.46 -37.27 77.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 776' ' ' PHE . . . . . 0.529 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 41.8 t80 -60.34 -59.83 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.457 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 17.7 m -63.48 -40.85 90.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 778' ' ' ALA . . . . . 0.439 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -52.36 -40.84 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -82.51 -46.27 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -44.83 -42.6 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.914 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 19.6 mm . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.845 0.355 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 726' ' ' MET . . . . . 0.404 ' HA ' ' NZ ' ' A' ' 729' ' ' LYS . 15.1 mtp -48.85 -52.15 25.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -38.54 -56.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.83 90.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 729' ' ' LYS . . . . . 0.404 ' NZ ' ' HA ' ' A' ' 726' ' ' MET . 5.2 mtmp? -61.6 -29.44 70.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -68.33 -54.54 16.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -60.93 -28.32 68.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 732' ' ' PHE . . . . . 0.472 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 53.1 t80 -78.04 -61.87 1.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -51.36 -43.33 61.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -71.53 -38.76 71.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 735' ' ' MET . . . . . 0.472 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 9.3 tmm? -60.99 -45.72 93.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 736' ' ' MET . . . . . 0.441 ' HG2' ' CE1' ' A' ' 750' ' ' PHE . 48.1 mtm -65.7 -43.66 88.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.02 -43.48 73.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -64.28 -50.17 68.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 739' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -59.68 -27.55 66.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 740' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 739' ' ' ALA . 5.6 ttpt 34.35 51.98 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 741' ' ' PHE . . . . . 0.579 ' HE1' HG12 ' A' ' 777' ' ' VAL . 4.8 p90 -63.36 -179.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -92.76 144.0 27.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.596 0.713 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -13.37 34.54 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -69.3 -37.93 78.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -60.87 159.0 11.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 746' ' ' THR . . . . . 0.449 HG23 ' H ' ' A' ' 749' ' ' GLU . 8.9 t -104.77 149.26 25.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 747' ' ' PHE . . . . . 0.418 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 3.0 t80 -39.24 -40.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.6 t -56.91 -58.22 9.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 749' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 753' ' ' LYS . 37.5 mt-10 -54.22 -41.73 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.441 ' CE1' ' HG2' ' A' ' 736' ' ' MET . 22.8 t80 -63.38 -43.73 96.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.565 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -62.49 -57.49 11.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.8 93.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 753' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 749' ' ' GLU . 16.0 mmtp -61.78 -42.75 99.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 754' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 34.3 m-70 -108.56 27.93 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -78.59 -33.13 47.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -66.07 -26.98 67.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 757' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 758' ' ' SER . 34.3 t70 -64.79 100.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 758' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 757' ' ' ASP . 1.9 m -34.91 -61.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 759' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 762' ' ' ALA . 49.6 mtt180 -42.16 -54.21 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 751' ' ' ALA . 1.1 t80 -51.66 -45.96 63.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -52.99 -32.61 47.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 762' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 759' ' ' ARG . . . -47.45 -35.79 9.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 763' ' ' ILE . . . . . 0.709 HG22 ' HG3' ' A' ' 769' ' ' ARG . 43.9 mm -88.44 92.7 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.58 -43.21 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -46.09 105.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -42.79 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -57.33 -37.06 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.11 -43.92 55.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.709 ' HG3' HG22 ' A' ' 763' ' ' ILE . 30.2 mtp180 -61.41 -48.41 81.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 770' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 774' ' ' ASN . 9.8 tt0 -70.14 -39.38 75.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.97 -61.03 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.52 -46.18 80.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 773' ' ' PHE . . . . . 0.512 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 76.1 t80 -65.78 -43.15 89.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 774' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 770' ' ' GLU . 50.5 m-20 -52.89 -56.16 17.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -60.03 -37.54 80.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -56.15 -61.65 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.579 HG12 ' HE1' ' A' ' 741' ' ' PHE . 18.5 m -61.67 -34.37 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -56.9 -38.4 72.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -88.0 -39.08 14.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -49.97 -38.98 39.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 781' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 781' ' ' ARG . 3.9 ptm85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.854 0.359 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -55.77 30.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -52.79 -57.9 8.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -53.9 -55.17 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 729' ' ' LYS . . . . . 0.467 ' HE2' HD21 ' A' ' 772' ' ' LEU . 67.3 mttt -51.38 -38.58 54.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -61.23 -56.0 25.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 731' ' ' ASP . . . . . 0.446 ' OD1' ' C ' ' A' ' 731' ' ' ASP . 0.6 OUTLIER -53.97 -31.0 49.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 732' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -73.38 -69.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -46.26 -38.55 8.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.19 -40.06 62.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 35.1 ttp -59.42 -41.67 90.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 71.1 mtm -69.97 -48.91 56.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -49.0 -42.9 39.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -68.73 -48.34 64.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -51.58 -45.78 63.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 62.47 43.07 8.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 741' ' ' PHE . . . . . 0.448 ' HE1' HG12 ' A' ' 777' ' ' VAL . 8.2 p90 -67.93 178.93 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -102.58 144.03 27.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.655 0.741 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -19.42 36.08 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.246 . . . . 0.0 112.357 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 744' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 745' ' ' ALA . 0.3 OUTLIER -60.76 -38.0 83.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 745' ' ' ALA . . . . . 0.467 ' N ' ' HD3' ' A' ' 744' ' ' ARG . . . -60.98 168.11 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 746' ' ' THR . . . . . 0.653 HG23 ' H ' ' A' ' 749' ' ' GLU . 6.4 t -108.46 154.64 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 747' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 8.8 t80 -52.43 -40.22 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 2.7 t -55.84 -57.89 10.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 749' ' ' GLU . . . . . 0.653 ' H ' HG23 ' A' ' 746' ' ' THR . 0.0 OUTLIER -58.93 -52.4 65.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -51.23 -53.12 38.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -49.81 -58.43 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -56.64 -42.16 78.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -59.08 -45.51 90.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 754' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 31.0 m-70 -108.0 27.89 8.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.512 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -80.31 -27.72 38.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -22.59 57.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 757' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -60.61 112.34 1.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 758' ' ' SER . . . . . . . . . . . . . 60.1 m -40.91 -57.33 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -48.93 -46.88 43.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.512 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 4.3 t80 -57.64 -39.8 77.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -54.63 -21.73 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.8 89.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 763' ' ' ILE . . . . . 0.709 HG22 ' HG3' ' A' ' 769' ' ' ARG . 25.2 mm -90.69 79.77 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -82.23 -30.52 30.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.31 93.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -42.31 -47.04 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -51.27 -49.44 61.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.11 -34.93 77.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.709 ' HG3' HG22 ' A' ' 763' ' ' ILE . 53.9 mtm180 -65.73 -51.98 54.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -59.6 -42.23 92.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.56 -60.57 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 772' ' ' LEU . . . . . 0.467 HD21 ' HE2' ' A' ' 729' ' ' LYS . 95.6 mt -55.32 -50.24 70.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 773' ' ' PHE . . . . . 0.616 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 64.3 t80 -59.52 -44.05 93.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -51.03 -51.1 56.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -58.63 -54.73 43.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -46.06 -63.04 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.616 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 8.1 m -60.59 -35.58 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -54.16 -35.97 62.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -93.2 -41.63 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 780' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -47.97 -33.57 7.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 781' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 780' ' ' ALA . 26.2 mtp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.826 0.346 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 69.5 mtm -58.49 -60.79 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -40.72 -58.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -55.1 -62.39 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -43.27 -40.6 3.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -59.57 -58.3 9.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.97 -29.08 26.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 732' ' ' PHE . . . . . 0.514 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 41.1 t80 -78.7 -66.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -48.23 -39.54 21.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -73.72 -43.81 58.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 735' ' ' MET . . . . . 0.514 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 8.4 tmm? -56.94 -48.7 77.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 44.0 mtm -64.89 -43.94 91.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -50.47 -43.75 55.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -68.65 -46.37 69.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 739' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -60.35 -33.5 72.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 740' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 739' ' ' ALA . 21.9 tttm 34.31 41.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -55.37 -177.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -93.25 143.44 26.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -10.24 28.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.272 . . . . 0.0 112.317 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 744' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 745' ' ' ALA . 1.9 ppt_? -65.87 -37.8 87.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 745' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' A' ' 744' ' ' ARG . . . -63.37 166.12 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 746' ' ' THR . . . . . 0.533 HG23 ' H ' ' A' ' 749' ' ' GLU . 15.4 t -108.63 164.99 11.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 747' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 3.1 t80 -55.19 -46.75 75.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 1.4 t -53.17 -59.33 4.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.887 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 749' ' ' GLU . . . . . 0.533 ' H ' HG23 ' A' ' 746' ' ' THR . 7.7 mm-40 -54.05 -42.23 68.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -61.18 -41.15 96.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.63 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -61.24 -57.14 13.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.31 76.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -53.23 -42.75 66.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 754' ' ' HIS . . . . . 0.544 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 72.7 m-70 -110.34 25.78 11.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -77.01 -31.17 56.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -73.22 -26.26 61.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 757' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 758' ' ' SER . 14.6 t70 -60.32 101.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 758' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 757' ' ' ASP . 18.0 m -34.51 -61.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -44.63 -53.35 7.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 754' ' ' HIS . 2.6 t80 -52.03 -43.3 63.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -54.58 -33.4 60.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -41.44 -38.42 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 8.2 mm -91.86 104.42 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.37 -33.38 10.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -56.93 92.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 14.7 ttt -42.38 -43.35 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -52.65 -50.48 63.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -39.7 84.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.57 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 62.8 mtm180 -59.83 -54.44 46.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -57.47 -41.74 81.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -68.63 -66.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 29.9 mt -48.93 -36.68 17.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 773' ' ' PHE . . . . . 0.495 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 89.2 t80 -74.05 -50.14 21.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -50.52 -44.09 56.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -67.28 -58.49 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -43.51 -64.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.567 HG23 ' N ' ' A' ' 778' ' ' ALA . 20.5 m -50.92 -47.28 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 778' ' ' ALA . . . . . 0.567 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -47.28 -41.58 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -82.42 -40.41 21.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -47.45 -52.43 17.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.901 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.815 0.341 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.98 -58.28 9.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -46.12 -53.65 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 728' ' ' ALA . . . . . 0.636 ' HB1' ' HB1' ' A' ' 762' ' ' ALA . . . -57.68 -59.02 5.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -44.9 -42.29 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.14 -55.47 34.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 731' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 735' ' ' MET . 21.1 m-20 -52.77 -37.58 59.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 732' ' ' PHE . . . . . 0.509 ' CD2' HD13 ' A' ' 772' ' ' LEU . 46.2 t80 -69.96 -63.7 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -50.74 -40.38 54.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -75.39 -44.26 45.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 735' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 39.9 ttp -58.46 -38.62 77.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 44.6 mtm -71.44 -48.29 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -50.34 -40.25 48.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 738' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 739' ' ' ALA . 19.2 mt-10 -78.66 -44.32 24.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 739' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 738' ' ' GLU . . . -34.56 -40.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp 61.41 41.51 12.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 741' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 4.7 p90 -83.3 172.25 12.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -96.4 143.79 26.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.08 3.89 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.287 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -88.89 -38.42 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -44.24 149.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 746' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 749' ' ' GLU . 11.8 t -92.35 139.89 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -43.48 -47.19 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.0 t -48.17 -40.09 22.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 749' ' ' GLU . . . . . 0.519 ' H ' HG23 ' A' ' 746' ' ' THR . 5.8 mt-10 -75.27 -63.96 1.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.461 ' CE2' ' NE2' ' A' ' 754' ' ' HIS . 17.4 t80 -43.26 -44.51 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -69.24 -51.28 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -54.1 -35.04 61.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -80.33 -63.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 754' ' ' HIS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 760' ' ' PHE . 27.9 m-70 -52.08 -30.41 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.545 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -40.89 -67.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -41.11 -30.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 757' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 758' ' ' SER . 7.4 t0 -70.58 103.37 2.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 758' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 757' ' ' ASP . 15.1 m -34.76 -61.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -38.92 -52.83 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 754' ' ' HIS . 18.7 t80 -53.21 -49.75 66.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 761' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 762' ' ' ALA . 39.9 mtpt -44.05 -37.59 3.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 762' ' ' ALA . . . . . 0.636 ' HB1' ' HB1' ' A' ' 728' ' ' ALA . . . -36.87 -42.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.066 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 763' ' ' ILE . . . . . 0.453 HG22 ' HG3' ' A' ' 769' ' ' ARG . 46.8 mm -82.48 92.87 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -82.55 -54.6 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -46.7 107.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 3.4 ttt -50.71 -51.32 50.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 767' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 767' ' ' LYS . 0.0 OUTLIER -46.43 -40.53 12.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.78 -48.17 69.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.453 ' HG3' HG22 ' A' ' 763' ' ' ILE . 48.0 mtp180 -49.08 -55.96 10.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -62.75 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -56.24 -66.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 772' ' ' LEU . . . . . 0.509 HD13 ' CD2' ' A' ' 732' ' ' PHE . 40.0 mt -45.91 -58.73 3.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 773' ' ' PHE . . . . . 0.493 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 62.1 t80 -52.83 -61.84 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -39.54 -43.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -69.08 -57.74 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 776' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 776' ' ' PHE . 4.6 t80 -44.12 -52.1 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.493 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 28.7 m -67.77 -32.97 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -56.01 -37.63 69.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.162 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -88.18 -42.07 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 780' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -57.56 -52.51 65.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 781' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 780' ' ' ALA . 12.7 ptm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 55.1 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.817 0.342 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 30.7 mtm -58.99 -62.84 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -44.28 -54.31 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.41 -51.68 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -56.11 -32.26 64.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.72 -55.94 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 731' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 732' ' ' PHE . 1.0 OUTLIER -52.46 -38.88 60.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 732' ' ' PHE . . . . . 0.494 ' CE1' ' NH2' ' A' ' 769' ' ' ARG . 11.5 t80 -70.98 -72.47 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -43.07 -36.36 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -77.66 -47.21 19.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 28.9 ttp -55.65 -38.89 70.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 58.6 mtm -72.62 -51.46 19.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -45.17 -41.69 8.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.61 -43.41 55.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 739' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -48.96 -22.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 740' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 739' ' ' ALA . 6.1 mtpm? 36.01 49.72 0.62 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 741' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 4.9 p90 -79.72 163.03 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -83.44 142.34 43.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -16.43 37.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.307 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -67.22 -34.16 76.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -53.15 169.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 36.8 p -110.32 157.0 19.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -54.52 -42.67 71.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 11.1 t -54.84 -56.42 19.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -58.13 6.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -52.04 -44.94 64.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.585 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -55.63 -40.67 72.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 752' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' A' ' 755' ' ' ALA . . . -79.21 -23.9 43.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -64.45 -52.55 57.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -105.47 18.24 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -55.38 -37.9 68.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -95.92 20.11 10.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 757' ' ' ASP . . . . . 0.445 ' OD1' ' C ' ' A' ' 757' ' ' ASP . 20.5 t0 -100.16 108.51 20.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 758' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 757' ' ' ASP . 30.4 t -36.49 -59.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 759' ' ' ARG . . . . . 0.438 ' CD ' ' HB2' ' A' ' 731' ' ' ASP . 9.5 mmt180 -47.78 -50.28 26.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.645 ' CE2' ' NH2' ' A' ' 769' ' ' ARG . 0.9 OUTLIER -54.39 -40.42 68.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -59.42 -29.16 67.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 762' ' ' ALA . . . . . 0.501 ' C ' HD13 ' A' ' 763' ' ' ILE . . . -42.7 -32.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 763' ' ' ILE . . . . . 0.501 HD13 ' C ' ' A' ' 762' ' ' ALA . 6.6 mm -112.62 82.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 764' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 765' ' ' LYS . 6.9 pt-20 -78.04 -38.35 44.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 765' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 764' ' ' GLU . 27.6 mttm -48.28 94.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -41.42 -54.81 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -50.22 -47.85 54.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -61.52 -34.24 75.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.645 ' NH2' ' CE2' ' A' ' 760' ' ' PHE . 28.3 mtp85 -66.28 -54.78 20.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -54.77 -36.96 65.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -68.45 -66.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 51.3 mt -49.31 -39.68 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 773' ' ' PHE . . . . . 0.54 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 76.0 t80 -69.62 -47.09 64.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -53.3 -42.51 66.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -68.33 -58.13 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 776' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 776' ' ' PHE . 11.0 t80 -44.52 -62.21 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.54 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 16.6 m -55.55 -44.84 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 778' ' ' ALA . . . . . 0.512 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -51.03 -32.43 21.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.037 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -86.82 -38.4 16.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.05 83.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -179.871 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 31.4 mtp -46.19 -63.07 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -41.64 -55.4 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.67 -58.74 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -47.28 -39.03 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.82 -52.66 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 731' ' ' ASP . . . . . 0.468 ' HB3' ' CG ' ' A' ' 759' ' ' ARG . 9.3 m-20 -55.18 -32.53 62.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 732' ' ' PHE . . . . . 0.674 ' CD2' HD13 ' A' ' 772' ' ' LEU . 53.0 t80 -78.58 -65.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 733' ' ' LYS . . . . . 0.472 ' HD2' ' CG ' ' A' ' 734' ' ' LYS . 0.0 OUTLIER -49.08 -37.93 22.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 734' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 733' ' ' LYS . 21.0 mttm -75.12 -41.99 57.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 735' ' ' MET . . . . . 0.46 ' CE ' ' CD1' ' A' ' 732' ' ' PHE . 7.7 tmm? -56.49 -38.78 72.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 50.5 mtm -73.56 -51.7 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -44.86 -41.56 7.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -76.48 -40.71 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -50.25 -37.44 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt 53.04 45.86 27.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -75.12 179.69 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -104.1 142.15 24.0 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -12.82 33.8 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -65.37 -40.01 93.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -60.75 144.56 52.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 746' ' ' THR . . . . . 0.66 HG23 ' H ' ' A' ' 749' ' ' GLU . 8.8 t -82.64 163.94 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -57.93 -41.96 83.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 43.1 t -57.06 -55.09 39.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 749' ' ' GLU . . . . . 0.66 ' H ' HG23 ' A' ' 746' ' ' THR . 29.0 mm-40 -58.08 -47.58 82.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.98 -39.27 88.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.792 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -59.58 -58.78 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.054 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.4 66.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -49.87 -41.99 46.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 754' ' ' HIS . . . . . 0.54 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 14.8 m-70 -117.22 39.57 3.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.792 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -93.44 -30.75 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -70.12 -18.06 63.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 757' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 758' ' ' SER . 8.3 t70 -66.02 107.31 1.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 758' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 757' ' ' ASP . 35.7 m -35.15 -60.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 759' ' ' ARG . . . . . 0.468 ' CG ' ' HB3' ' A' ' 731' ' ' ASP . 0.0 OUTLIER -45.37 -52.98 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 755' ' ' ALA . 0.6 OUTLIER -51.88 -42.76 62.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -54.33 -30.96 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -43.41 -44.28 5.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 763' ' ' ILE . . . . . 0.617 HG22 ' HG3' ' A' ' 769' ' ' ARG . 29.8 mm -79.71 116.09 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -105.62 -60.6 1.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -45.74 121.28 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 7.8 ttt -55.69 -55.97 25.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -40.61 -42.8 1.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -66.49 -50.07 64.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.617 ' HG3' HG22 ' A' ' 763' ' ' ILE . 55.0 mtp180 -50.94 -54.86 20.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -64.39 -40.11 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -57.58 -68.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 772' ' ' LEU . . . . . 0.674 HD13 ' CD2' ' A' ' 732' ' ' PHE . 44.0 mt -48.2 -55.9 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 773' ' ' PHE . . . . . 0.472 ' O ' HG22 ' A' ' 777' ' ' VAL . 84.2 t80 -52.25 -42.32 63.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 774' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 778' ' ' ALA . 32.9 m-20 -59.27 -42.81 92.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -65.38 -56.25 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 776' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 776' ' ' PHE . 4.4 t80 -48.91 -60.56 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 773' ' ' PHE . 17.0 m -57.88 -37.58 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 778' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 774' ' ' ASN . . . -53.87 -40.42 66.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -85.6 -49.74 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -45.88 -50.74 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.901 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 73.2 mt . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.865 0.364 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 10.0 mmt -58.38 -51.12 71.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -46.21 -61.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -57.54 -62.51 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 729' ' ' LYS . . . . . 0.676 ' HE2' HD21 ' A' ' 772' ' ' LEU . 46.8 mttt -43.21 -37.88 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.89 -53.09 59.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 731' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 735' ' ' MET . 75.8 m-20 -54.78 -40.27 69.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 732' ' ' PHE . . . . . 0.558 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 57.1 t80 -70.24 -64.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -48.19 -45.9 34.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -71.54 -39.68 70.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 735' ' ' MET . . . . . 0.558 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 9.0 tmm? -58.69 -45.21 89.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 736' ' ' MET . . . . . 0.419 ' HE3' ' CD2' ' A' ' 776' ' ' PHE . 39.1 mtm -67.47 -43.4 81.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -54.29 -38.42 65.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.13 -48.83 49.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -51.07 -40.34 58.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 28.5 mttm 53.87 42.42 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 741' ' ' PHE . . . . . 0.433 ' HE1' HG12 ' A' ' 777' ' ' VAL . 5.7 p90 -63.87 179.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -93.73 144.0 27.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.608 0.718 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -6.54 18.84 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.735 2.29 . . . . 0.0 112.32 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -77.32 -39.7 46.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -55.32 142.41 32.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 746' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 746' ' ' THR . 0.0 OUTLIER -86.52 157.71 19.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 747' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 2.4 t80 -53.03 -47.64 68.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 34.5 t -50.59 -51.68 46.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.96 -48.61 81.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 750' ' ' PHE . . . . . 0.407 ' CZ ' ' SD ' ' A' ' 736' ' ' MET . 24.1 t80 -54.38 -58.02 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 760' ' ' PHE . . . -51.53 -60.48 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -53.67 -62.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -48.89 -36.88 18.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 754' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 13.3 m-70 -110.25 30.4 6.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.535 ' HA ' ' CE1' ' A' ' 760' ' ' PHE . . . -83.99 -29.27 27.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -70.23 -27.11 64.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 757' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -60.98 106.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 758' ' ' SER . . . . . . . . . . . . . 6.6 p -41.66 -59.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -45.75 -45.78 14.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 754' ' ' HIS . 3.0 t80 -61.08 -42.89 99.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -52.78 -22.08 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -50.3 -40.99 50.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 14.1 mm -88.62 95.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -87.75 -45.84 9.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -53.16 101.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 4.2 ttt -44.84 -48.32 11.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -48.69 -46.63 40.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -35.42 81.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.569 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 37.8 mtm180 -64.0 -52.79 57.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.33 -40.94 94.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -59.31 -59.84 4.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 772' ' ' LEU . . . . . 0.676 HD21 ' HE2' ' A' ' 729' ' ' LYS . 32.0 mt -59.88 -45.59 92.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 773' ' ' PHE . . . . . 0.404 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 13.3 t80 -64.58 -29.78 70.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -65.39 -54.33 30.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.04 -39.94 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 776' ' ' PHE . . . . . 0.419 ' CD2' ' HE3' ' A' ' 736' ' ' MET . 43.3 t80 -55.22 -61.18 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.433 HG12 ' HE1' ' A' ' 741' ' ' PHE . 13.2 m -61.99 -36.78 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -54.84 -37.28 65.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -90.39 -37.99 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 780' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -52.95 -33.46 51.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 781' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 780' ' ' ALA . 29.3 mtp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 35.2 mm . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.816 0.341 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 16.5 mmt -62.99 -63.94 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -39.83 -57.39 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 728' ' ' ALA . . . . . 0.684 ' HB1' ' HB1' ' A' ' 762' ' ' ALA . . . -58.58 -55.64 32.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -49.84 -34.55 20.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -68.46 -57.77 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 731' ' ' ASP . . . . . 0.44 ' HB3' ' CG ' ' A' ' 759' ' ' ARG . 0.6 OUTLIER -57.8 -27.38 63.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 732' ' ' PHE . . . . . 0.496 ' CG ' HG13 ' A' ' 763' ' ' ILE . 57.3 t80 -76.9 -65.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -49.92 -37.92 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -74.89 -40.75 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 34.7 ttp -59.2 -34.88 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 67.4 mtm -75.95 -51.03 13.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -48.29 -41.62 28.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -76.44 -39.75 52.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -44.91 -30.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp 49.71 46.93 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 741' ' ' PHE . . . . . 0.578 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 7.3 p90 -86.12 173.14 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 742' ' ' ASN . . . . . 0.465 ' ND2' ' HB2' ' A' ' 744' ' ' ARG . 24.3 p-10 -99.93 144.05 27.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.638 0.732 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.85 27.21 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 744' ' ' ARG . . . . . 0.465 ' HB2' ' ND2' ' A' ' 742' ' ' ASN . 30.3 mtp85 -53.4 -35.99 60.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -55.21 175.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 746' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 749' ' ' GLU . 15.1 t -118.24 159.47 23.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -50.43 -40.07 49.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.0 t -59.26 -58.53 8.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 749' ' ' GLU . . . . . 0.515 ' H ' HG23 ' A' ' 746' ' ' THR . 7.2 mt-10 -53.9 -46.97 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -57.02 -51.86 67.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.589 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -54.2 -44.41 71.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 752' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' A' ' 755' ' ' ALA . . . -67.82 -35.91 79.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.131 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -56.59 -52.51 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 754' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 58.0 m-70 -106.93 26.78 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -67.53 -15.69 63.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -110.5 17.93 20.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 757' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 758' ' ' SER . 47.6 t0 -105.99 112.96 26.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 758' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 757' ' ' ASP . 4.8 m -36.7 -57.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 759' ' ' ARG . . . . . 0.44 ' CG ' ' HB3' ' A' ' 731' ' ' ASP . 2.2 mpt_? -47.75 -50.16 26.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 751' ' ' ALA . 54.8 t80 -53.91 -39.97 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -60.99 -34.73 75.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 762' ' ' ALA . . . . . 0.684 ' HB1' ' HB1' ' A' ' 728' ' ' ALA . . . -46.06 -24.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.062 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 763' ' ' ILE . . . . . 0.811 HG22 ' HG3' ' A' ' 769' ' ' ARG . 41.2 mm -111.23 88.81 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.16 -36.4 10.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 765' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 766' ' ' MET . 66.6 mttt -53.8 102.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 766' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 765' ' ' LYS . 21.6 ttt -34.56 -69.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 767' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 768' ' ' ASP . 17.8 ptpt -39.06 -43.84 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 768' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 767' ' ' LYS . 10.5 t0 -64.74 -48.76 73.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.811 ' HG3' HG22 ' A' ' 763' ' ' ILE . 48.9 mtp180 -59.53 -54.44 46.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -63.99 -28.04 69.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -74.68 -68.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 772' ' ' LEU . . . . . 0.492 HD13 ' CD2' ' A' ' 732' ' ' PHE . 39.4 mt -47.13 -40.34 15.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 773' ' ' PHE . . . . . 0.611 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 85.2 t80 -69.3 -51.09 40.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -47.18 -50.21 21.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.14 -60.69 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 776' ' ' PHE . . . . . 0.578 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 6.9 t80 -40.11 -60.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.611 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 7.6 m -62.06 -41.91 92.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 778' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -47.24 -33.85 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -92.17 -44.14 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -44.6 -32.09 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 781' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 781' ' ' ARG . 12.1 mtp-105 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 725' ' ' ILE . . . . . 0.436 ' CG2' ' HE3' ' A' ' 729' ' ' LYS . 40.9 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.829 0.347 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 6.9 mmt -67.48 -67.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -42.41 -50.18 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 728' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' A' ' 762' ' ' ALA . . . -60.2 -51.4 69.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 729' ' ' LYS . . . . . 0.436 ' HE3' ' CG2' ' A' ' 725' ' ' ILE . 42.3 mttt -53.87 -33.96 57.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.79 -51.0 60.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.47 -26.56 67.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 732' ' ' PHE . . . . . 0.479 ' CD2' HD13 ' A' ' 772' ' ' LEU . 60.4 t80 -73.64 -70.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -43.36 -44.2 5.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -70.89 -35.68 72.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 45.2 ttp -64.81 -36.68 85.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 51.0 mtm -74.34 -39.43 62.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.83 -35.74 81.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 738' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 739' ' ' ALA . 9.3 pt-20 -73.86 -44.53 55.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 739' ' ' ALA . . . . . 0.461 ' N ' ' HG3' ' A' ' 738' ' ' GLU . . . -53.03 -39.87 63.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 27.8 mttp 60.54 38.42 18.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 741' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 5.0 p90 -66.83 174.58 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 742' ' ' ASN . . . . . 0.642 ' OD1' ' HB2' ' A' ' 745' ' ' ALA . 13.7 p30 -91.5 143.92 28.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -28.78 24.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.372 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -59.49 -39.22 83.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 745' ' ' ALA . . . . . 0.642 ' HB2' ' OD1' ' A' ' 742' ' ' ASN . . . -47.71 165.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 746' ' ' THR . . . . . 0.563 HG23 ' H ' ' A' ' 749' ' ' GLU . 13.7 t -112.23 144.35 41.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 747' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 8.9 t80 -39.81 -49.65 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.6 t -48.34 -57.21 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 749' ' ' GLU . . . . . 0.563 ' H ' HG23 ' A' ' 746' ' ' THR . 0.0 OUTLIER -52.64 -55.94 18.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -50.21 -45.62 53.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.661 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -55.78 -47.16 77.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -62.03 -38.06 87.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -59.86 4.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -94.5 16.3 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -53.73 -36.68 62.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -100.6 8.58 43.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 757' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 758' ' ' SER . 8.2 t70 -81.19 112.84 18.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 758' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 757' ' ' ASP . 58.0 m -34.39 -64.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -45.33 -51.31 11.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 755' ' ' ALA . 20.1 t80 -54.44 -42.86 71.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -56.57 -32.42 65.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 762' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' A' ' 728' ' ' ALA . . . -47.42 -34.09 6.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 22.5 mm -112.57 98.11 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 764' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 766' ' ' MET . 1.1 tt0 -92.74 -37.07 12.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 765' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 766' ' ' MET . 63.3 mttt -49.65 87.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 766' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 764' ' ' GLU . 21.7 ttt -36.31 -48.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -49.55 -49.56 45.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.3 -41.32 96.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.577 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 50.1 mtm180 -57.57 -55.36 35.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -53.44 -43.75 68.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.28 -58.46 7.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 772' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 732' ' ' PHE . 38.3 mt -53.37 -49.7 66.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.44 -51.86 68.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 774' ' ' ASN . . . . . 0.432 ' O ' HG22 ' A' ' 777' ' ' VAL . 33.6 m-20 -47.07 -55.43 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -55.49 -43.63 75.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -55.26 -56.28 21.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 774' ' ' ASN . 34.8 m -65.77 -34.04 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -55.27 -42.62 73.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -87.29 -45.23 10.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -43.14 -39.79 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.079 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.904 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.853 0.359 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 62.0 mtp -64.18 -57.1 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -45.22 -57.67 3.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.31 -65.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -42.98 -40.38 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 730' ' ' GLU . . . . . 0.405 ' C ' ' OE1' ' A' ' 730' ' ' GLU . 0.0 OUTLIER -57.35 -56.87 16.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 731' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 735' ' ' MET . 1.1 m-20 -58.83 -40.61 84.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 732' ' ' PHE . . . . . 0.634 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 21.7 t80 -65.91 -68.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -43.91 -48.27 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -70.1 -38.51 75.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 735' ' ' MET . . . . . 0.634 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 8.7 tmm? -59.66 -44.82 93.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 736' ' ' MET . . . . . 0.437 ' HB3' ' CE2' ' A' ' 776' ' ' PHE . 46.6 mtm -69.78 -46.48 65.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -48.47 -44.6 35.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -68.7 -52.89 26.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -39.02 -44.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 43.5 mttt 55.97 41.8 29.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 741' ' ' PHE . . . . . 0.461 ' HE1' HG12 ' A' ' 777' ' ' VAL . 5.6 p90 -68.9 176.17 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -91.91 143.91 28.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.622 0.725 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -26.46 27.4 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -54.76 -38.88 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -57.26 153.36 12.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 746' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 749' ' ' GLU . 11.8 t -94.69 165.82 12.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -60.54 -42.79 97.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 3.9 t -56.08 -54.67 42.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 749' ' ' GLU . . . . . 0.668 ' H ' HG23 ' A' ' 746' ' ' THR . 6.4 mm-40 -55.34 -44.78 76.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -64.18 -37.1 86.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -60.42 -57.34 13.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.75 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 753' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 749' ' ' GLU . 2.7 mmmm -69.91 -40.66 75.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 754' ' ' HIS . . . . . 0.543 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 63.1 m-70 -113.02 31.18 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.565 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -76.26 -52.5 9.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -54.53 -24.36 20.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 757' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 758' ' ' SER . 16.8 t70 -59.99 103.19 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 758' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 757' ' ' ASP . 32.3 t -34.75 -60.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 759' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 762' ' ' ALA . 81.1 mtt180 -43.77 -52.55 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 1.4 t80 -53.43 -44.4 68.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -58.09 -32.34 67.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 762' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 759' ' ' ARG . . . -49.82 -27.58 5.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.07 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 763' ' ' ILE . . . . . 0.422 HG22 ' HG3' ' A' ' 769' ' ' ARG . 27.9 mm -86.08 133.63 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -122.41 -61.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -44.4 111.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 6.5 ttt -50.03 -53.44 26.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -43.1 -42.07 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.07 -47.38 71.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.422 ' HG3' HG22 ' A' ' 763' ' ' ILE . 60.2 mtp180 -54.2 -48.08 71.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -70.78 -60.58 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -46.5 -51.38 15.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 772' ' ' LEU . . . . . 0.546 HD13 ' CD2' ' A' ' 732' ' ' PHE . 34.3 mt -56.39 -58.47 7.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 773' ' ' PHE . . . . . 0.451 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 87.1 t80 -55.54 -63.78 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 774' ' ' ASN . . . . . 0.664 ' O ' HG22 ' A' ' 777' ' ' VAL . 74.4 m-20 -34.98 -65.39 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 775' ' ' GLU . . . . . 0.507 ' O ' ' HB3' ' A' ' 778' ' ' ALA . 13.2 tp10 -47.39 -50.69 21.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 776' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 736' ' ' MET . 15.1 t80 -49.66 -62.63 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 774' ' ' ASN . 26.7 m -56.94 -28.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 778' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 775' ' ' GLU . . . -62.06 -42.11 98.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -87.4 -34.74 18.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -57.81 -46.38 84.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.82 0.343 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -47.12 -54.56 10.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -39.34 -58.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 728' ' ' ALA . . . . . 0.429 ' CB ' ' HB1' ' A' ' 762' ' ' ALA . . . -54.7 -41.35 70.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -62.73 -36.99 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.53 -57.96 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 731' ' ' ASP . . . . . 0.474 ' HB3' ' CG ' ' A' ' 759' ' ' ARG . 1.1 m-20 -61.05 -25.0 66.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 732' ' ' PHE . . . . . 0.433 ' CG ' HG13 ' A' ' 763' ' ' ILE . 67.3 t80 -77.13 -64.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -51.84 -42.73 62.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -69.41 -39.75 77.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 30.5 ttp -58.36 -48.74 79.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 53.5 mtm -63.02 -44.1 96.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.54 -45.7 63.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.17 -45.25 85.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 739' ' ' ALA . . . . . 0.466 ' O ' ' CG ' ' A' ' 740' ' ' LYS . . . -59.12 -34.11 71.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 740' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 739' ' ' ALA . 18.3 pttp 46.81 40.92 9.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -56.3 175.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -91.75 142.55 26.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.73 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.86 19.58 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -77.63 -33.56 53.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -58.45 153.29 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 746' ' ' THR . . . . . 0.428 HG23 ' HG3' ' A' ' 749' ' ' GLU . 0.1 OUTLIER -95.56 148.44 22.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 747' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 4.0 t80 -44.55 -35.23 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 12.2 t -66.59 -55.47 15.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 749' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 753' ' ' LYS . 34.2 mt-10 -52.49 -35.64 53.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -73.75 -39.4 64.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 751' ' ' ALA . . . . . 0.442 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -61.2 -49.53 76.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 752' ' ' ALA . . . . . 0.589 ' HA ' ' HB2' ' A' ' 755' ' ' ALA . . . -72.28 -47.23 51.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 753' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 749' ' ' GLU . 0.0 OUTLIER -50.49 -39.85 49.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -110.57 17.81 20.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 755' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 752' ' ' ALA . . . -63.54 -8.94 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 -11.89 16.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 757' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 758' ' ' SER . 10.3 t0 -71.3 108.67 4.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 758' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 757' ' ' ASP . 2.1 t -36.77 -59.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 759' ' ' ARG . . . . . 0.474 ' CG ' ' HB3' ' A' ' 731' ' ' ASP . 2.2 mpt_? -46.69 -49.62 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 760' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 751' ' ' ALA . 35.0 t80 -55.39 -41.77 73.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -57.69 -25.2 59.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 762' ' ' ALA . . . . . 0.429 ' HB1' ' CB ' ' A' ' 728' ' ' ALA . . . -61.54 -37.92 85.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 763' ' ' ILE . . . . . 0.433 HG13 ' CG ' ' A' ' 732' ' ' PHE . 19.6 mm -91.82 77.06 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -78.71 -31.59 46.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 765' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 765' ' ' LYS . 0.0 OUTLIER -59.5 89.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 2.6 ttt -39.4 -39.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.97 -54.8 38.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -60.89 -32.37 71.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 769' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 40.0 mtm180 -63.39 -51.32 66.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -65.55 -35.36 80.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -70.98 -62.7 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 46.3 mt -51.98 -40.42 60.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 773' ' ' PHE . . . . . 0.574 ' CE1' HG11 ' A' ' 777' ' ' VAL . 40.1 t80 -71.84 -49.5 37.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -46.38 -43.29 16.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.56 -48.24 49.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -47.37 -56.44 6.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 777' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 778' ' ' ALA . 24.7 m -62.91 -50.6 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 778' ' ' ALA . . . . . 0.621 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -39.05 -42.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -86.35 -42.32 13.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -49.95 -27.62 5.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.888 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 28.3 t -96.76 154.05 17.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 16.8 m -150.63 168.85 23.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 149.68 -173.57 29.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 8.4 t -117.34 163.37 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.833 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 92.7 p -144.55 110.03 5.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 74.15 93.92 0.13 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -98.36 175.52 6.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -115.59 98.6 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -85.45 155.11 21.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -97.21 168.29 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -80.32 43.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -139.71 160.99 38.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -92.93 42.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -87.34 -52.04 5.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 26.3 mm -53.67 -61.91 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 36.1 mmt -42.6 -61.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -44.9 -60.87 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -53.69 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -41.28 -40.06 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -63.47 -56.84 12.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 731' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 735' ' ' MET . 5.8 m-20 -56.41 -35.45 67.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 732' ' ' PHE . . . . . 0.402 ' CD2' HD13 ' A' ' 772' ' ' LEU . 18.8 t80 -70.47 -65.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -50.96 -40.14 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -73.45 -44.69 57.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 735' ' ' MET . . . . . 0.461 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 38.7 ttp -54.38 -43.52 71.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 55.0 mtm -69.29 -47.17 65.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.01 -36.38 28.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -76.22 -44.42 37.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -55.06 -39.38 69.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt 50.57 45.25 26.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 741' ' ' PHE . . . . . 0.451 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 4.6 p90 -68.26 173.58 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -90.78 143.94 29.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -20.61 34.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.275 . . . . 0.0 112.361 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -60.69 -37.68 82.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -60.96 160.09 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.672 HG23 ' H ' ' A' ' 749' ' ' GLU . 8.8 t -98.96 154.03 18.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 747' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 769' ' ' ARG . 11.6 t80 -52.74 -44.68 66.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.9 t -51.88 -52.94 46.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 749' ' ' GLU . . . . . 0.672 ' H ' HG23 ' A' ' 746' ' ' THR . 18.0 mm-40 -58.52 -51.99 67.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -52.85 -49.64 65.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.538 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -51.28 -57.28 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.91 94.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -55.79 -41.76 74.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 754' ' ' HIS . . . . . 0.471 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 71.1 m-70 -114.82 31.11 6.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.565 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -77.14 -41.24 42.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -58.58 -26.01 63.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 757' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.1 t70 -61.21 102.91 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 758' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 757' ' ' ASP . 23.2 t -34.58 -59.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 12.5 mtm-85 -46.4 -51.94 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 6.7 t80 -51.56 -41.99 61.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -56.38 -34.48 66.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.94 -40.28 13.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 763' ' ' ILE . . . . . 0.634 HG22 ' HG3' ' A' ' 769' ' ' ARG . 39.4 mm -86.28 94.17 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -96.63 -44.92 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -43.12 100.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 5.8 ttt -41.59 -53.91 3.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -50.69 -44.85 58.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -59.7 -44.33 93.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.634 ' HG3' HG22 ' A' ' 763' ' ' ILE . 37.1 mtp180 -65.04 -52.05 58.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -59.97 -35.94 76.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -70.37 -60.37 2.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 772' ' ' LEU . . . . . 0.402 HD13 ' CD2' ' A' ' 732' ' ' PHE . 36.0 mt -54.45 -39.93 67.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 773' ' ' PHE . . . . . 0.497 ' CE2' HG11 ' A' ' 777' ' ' VAL . 80.3 t80 -70.51 -52.67 20.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -47.31 -49.7 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -63.4 -45.29 91.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 776' ' ' PHE . . . . . 0.451 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 42.3 t80 -55.57 -54.74 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.497 HG11 ' CE2' ' A' ' 773' ' ' PHE . 17.7 m -66.74 -38.45 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -54.41 -37.19 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -89.34 -36.94 15.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -53.25 -46.95 69.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -64.26 -51.86 61.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -144.37 142.24 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -104.98 -38.49 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.928 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -83.01 53.37 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -113.52 165.14 12.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -66.34 88.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 44.0 t -150.66 135.79 17.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -169.58 64.12 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -43.12 2.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.278 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 70.9 m -121.9 146.76 46.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 3.6 t -85.46 -54.2 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 3.7 m -125.25 159.91 30.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 97.9 p -156.18 165.39 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -122.62 -174.79 14.51 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 3.1 t -142.63 153.29 43.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 19.3 m -61.58 108.48 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 145.53 148.31 4.78 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -99.6 140.7 33.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.62 146.21 39.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -44.51 143.76 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.77 -31.4 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -49.76 -43.42 48.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -69.62 104.72 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 723' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 724' ' ' LYS . 66.1 m-20 -60.75 -40.12 91.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 724' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 723' ' ' ASN . 14.8 mmtp -37.52 -41.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 89.0 mt -49.68 -57.68 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 8.0 mmt -54.06 -63.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -43.95 -61.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -51.5 -60.1 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -45.95 -37.62 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -62.3 -50.75 70.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 731' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 735' ' ' MET . 0.9 OUTLIER -64.52 -29.03 70.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 732' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -74.18 -61.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -50.49 -45.22 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -72.07 -37.51 69.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 735' ' ' MET . . . . . 0.483 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 11.2 tmm? -62.59 -32.05 72.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 43.8 mtm -79.01 -43.02 25.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.83 -32.84 74.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 738' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 739' ' ' ALA . 12.6 pt-20 -77.52 -49.0 15.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 739' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 738' ' ' GLU . . . -53.66 -30.2 42.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt 47.76 47.98 17.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 741' ' ' PHE . . . . . 0.548 ' CZ ' ' CD1' ' A' ' 776' ' ' PHE . 28.6 p90 -68.93 178.61 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -102.28 144.08 27.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -15.04 37.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -67.52 -24.61 65.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -72.3 147.58 46.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 749' ' ' GLU . 14.7 t -98.84 146.17 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -41.17 -38.84 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 1.6 t -54.88 -54.4 43.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 749' ' ' GLU . . . . . 0.411 ' H ' HG23 ' A' ' 746' ' ' THR . 9.5 mt-10 -69.78 -52.36 25.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.406 ' CE1' ' CE1' ' A' ' 754' ' ' HIS . 24.0 t80 -48.46 -39.4 22.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.567 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -71.62 -54.61 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -54.6 -28.92 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -85.34 -61.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 754' ' ' HIS . . . . . 0.406 ' CE1' ' CE1' ' A' ' 750' ' ' PHE . 22.5 m-70 -62.45 -9.5 8.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -59.05 -53.69 55.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -49.17 -21.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 757' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 758' ' ' SER . 11.0 t70 -76.76 102.6 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 758' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 757' ' ' ASP . 71.6 m -35.24 -61.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -39.2 -51.77 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 760' ' ' PHE . 4.8 t80 -54.59 -49.47 70.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -46.72 -28.71 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.95 -50.32 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 34.7 mm -83.37 94.71 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 764' ' ' GLU . . . . . 0.421 ' O ' ' NH2' ' A' ' 769' ' ' ARG . 11.1 pt-20 -82.96 -29.45 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -58.51 99.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.7 ttt -50.14 -41.02 48.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -58.58 -47.74 83.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.66 -49.46 77.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.421 ' NH2' ' O ' ' A' ' 764' ' ' GLU . 42.0 mtm180 -49.64 -52.83 27.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -58.54 -38.01 76.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -65.58 -63.02 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 68.9 mt -54.45 -45.65 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -64.36 -43.1 95.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 774' ' ' ASN . . . . . 0.506 ' O ' HG22 ' A' ' 777' ' ' VAL . 44.6 m-20 -56.99 -56.03 27.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -54.94 -44.45 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 776' ' ' PHE . . . . . 0.548 ' CD1' ' CZ ' ' A' ' 741' ' ' PHE . 9.5 t80 -56.32 -55.25 35.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 774' ' ' ASN . 33.2 m -64.66 -33.13 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.0 83.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -81.46 -38.74 25.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -48.61 -51.22 29.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -64.88 -50.08 67.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -64.83 170.71 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 783' ' ' LYS . . . . . 0.403 ' C ' ' HD3' ' A' ' 783' ' ' LYS . 1.0 OUTLIER -130.65 -41.91 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -86.46 47.87 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -116.77 91.39 3.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -84.95 130.5 34.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 2.9 t -87.0 105.81 17.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -156.94 147.95 17.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 146.62 60.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 5.2 t -160.95 116.34 2.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 12.9 t -47.07 121.18 3.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.528 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 83.3 p -102.68 152.97 20.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 5.8 t -139.43 156.14 47.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -68.91 -147.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 50.8 m -110.48 162.16 14.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 3.7 m -119.73 151.47 38.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -155.84 -118.62 0.61 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -123.89 161.91 24.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.936 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.48 152.48 34.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -129.01 42.16 3.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 720' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 721' ' ' LYS . 9.1 mt-10 -59.23 -46.91 87.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 721' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 720' ' ' GLU . 4.7 tmtt? -35.95 -62.34 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 722' ' ' LYS . . . . . 0.642 ' HB2' HD12 ' A' ' 725' ' ' ILE . 10.5 mmmt -63.36 88.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -53.16 -42.81 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -41.84 -47.3 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.642 HD12 ' HB2' ' A' ' 722' ' ' LYS . 81.6 mt -60.57 -54.36 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 16.8 mmt -55.2 -69.71 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -38.98 -60.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -49.61 -53.43 24.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -56.82 -34.65 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.3 -57.14 14.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.57 -31.75 66.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 732' ' ' PHE . . . . . 0.573 ' CD1' HG13 ' A' ' 763' ' ' ILE . 34.9 t80 -71.69 -67.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -45.31 -42.34 9.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -73.62 -39.79 64.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 54.0 ttp -60.37 -44.52 95.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 41.9 mtm -67.89 -44.45 76.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.63 -42.35 64.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.6 -51.28 44.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 739' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -54.46 -27.97 41.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 740' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 739' ' ' ALA . 0.1 OUTLIER 36.51 36.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 741' ' ' PHE . . . . . 0.55 ' HE1' HG12 ' A' ' 777' ' ' VAL . 6.1 p90 -52.01 -178.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -93.76 144.22 27.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -31.14 21.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -55.99 -35.3 66.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -49.97 179.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.547 HG23 ' H ' ' A' ' 749' ' ' GLU . 6.4 t -129.94 148.17 51.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.11 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -38.74 -51.09 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.6 t -49.29 -56.19 10.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 749' ' ' GLU . . . . . 0.547 ' H ' HG23 ' A' ' 746' ' ' THR . 28.8 mm-40 -54.58 -54.57 39.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -50.77 -46.93 59.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.639 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -57.52 -45.78 84.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 752' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 755' ' ' ALA . . . -68.64 -32.76 72.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -61.03 -46.26 91.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -111.89 16.13 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -55.77 -32.04 63.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -96.43 11.99 32.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 757' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 758' ' ' SER . 17.9 t0 -93.18 108.81 20.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 758' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 757' ' ' ASP . 4.6 m -36.9 -56.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 71.2 mmt-85 -50.82 -50.67 55.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 751' ' ' ALA . 29.3 t80 -53.81 -35.9 61.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -60.67 -29.86 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -55.2 -17.51 4.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 763' ' ' ILE . . . . . 0.85 HG22 ' HG3' ' A' ' 769' ' ' ARG . 25.8 mm -115.32 88.98 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -95.53 -39.16 10.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -44.11 98.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 12.3 ttt -43.42 -40.76 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -49.67 74.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.29 -40.21 95.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.85 ' HG3' HG22 ' A' ' 763' ' ' ILE . 41.9 mtp180 -65.57 -49.09 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.432 ' HG2' ' ND2' ' A' ' 774' ' ' ASN . 19.0 tt0 -65.56 -35.87 82.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -72.55 -68.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 40.7 mt -45.62 -39.03 7.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -73.84 -55.59 6.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 774' ' ' ASN . . . . . 0.432 ' ND2' ' HG2' ' A' ' 770' ' ' GLU . 62.0 m-20 -45.56 -46.17 14.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -66.39 -54.67 21.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -43.81 -54.75 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.55 HG12 ' HE1' ' A' ' 741' ' ' PHE . 25.7 m -64.61 -35.12 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -57.18 -32.43 66.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -93.72 -44.68 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 780' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -49.58 -32.73 13.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 781' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 780' ' ' ALA . 32.6 mtp180 -34.78 -65.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -68.48 159.56 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -109.24 -42.37 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -47.12 -57.19 5.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -103.48 116.03 31.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 787' ' ' SER . 15.0 pt-20 -114.27 -46.69 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 787' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 786' ' ' GLU . 95.3 p -73.93 128.43 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -128.62 -75.29 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -42.98 2.94 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.656 2.237 . . . . 0.0 112.348 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 36.5 p 42.59 41.5 2.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 93.9 p -113.19 134.99 54.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.491 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 710' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 711' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 711' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 710' ' ' GLY . 42.1 t -37.47 113.15 0.24 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 84.3 p -45.55 139.85 3.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -98.47 68.18 0.67 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 30.5 t -117.88 130.08 56.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 16.6 t -161.47 149.1 14.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -148.57 73.12 0.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -131.77 116.72 17.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -58.15 128.01 34.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.58 21.92 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.63 -38.08 88.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -40.53 -47.82 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.47 136.14 33.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -91.6 -43.21 9.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -38.7 -57.37 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 46.6 mt -47.84 -59.94 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 5.7 mmt -55.25 -60.97 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -43.06 -60.4 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -51.34 -61.03 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -45.31 -40.51 7.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -57.68 -59.17 5.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 731' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 735' ' ' MET . 60.0 m-20 -50.23 -34.06 21.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 732' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -73.16 -65.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -45.74 -43.05 12.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 734' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 734' ' ' LYS . 0.0 OUTLIER -74.25 -39.64 62.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 735' ' ' MET . . . . . 0.412 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 41.1 ttp -59.56 -46.03 90.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 36.5 mtm -68.69 -41.97 78.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -52.61 -45.01 66.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -69.66 -44.61 70.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -47.93 -34.7 9.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt 41.35 38.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -66.95 -178.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -95.86 144.08 27.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -3.32 11.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.236 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -77.99 -34.11 51.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -58.55 162.46 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 11.6 t -114.57 165.36 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 747' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 13.7 t80 -56.51 -35.32 67.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 6.4 t -55.4 -52.72 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -70.02 -55.47 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -44.96 -44.09 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -69.3 -53.75 18.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -52.2 -31.25 30.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -83.7 -63.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -58.95 -16.8 19.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -47.98 -59.81 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -48.93 -24.35 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 757' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -71.48 102.9 2.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 758' ' ' SER . . . . . . . . . . . . . 46.3 m -38.92 -59.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 45.3 mtt85 -40.94 -51.3 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 760' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.67 -47.85 73.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -45.48 -33.1 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -47.36 -47.53 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 16.1 mm -76.55 92.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -83.01 -27.82 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -64.96 96.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 3.1 ttp -48.79 -42.17 34.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -60.12 -46.72 88.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.12 -46.83 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.483 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 60.5 mtm180 -56.07 -53.5 56.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.59 -29.98 66.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -72.87 -55.48 6.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 29.2 mt -63.47 -33.03 74.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 773' ' ' PHE . . . . . 0.654 ' O ' HG13 ' A' ' 777' ' ' VAL . 23.3 t80 -76.84 -37.14 56.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -62.59 -47.75 82.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 775' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 776' ' ' PHE . 12.2 pt-20 -68.73 -46.78 68.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 776' ' ' PHE . . . . . 0.42 ' N ' ' HG3' ' A' ' 775' ' ' GLU . 23.4 t80 -53.35 -55.65 23.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 773' ' ' PHE . 10.6 m -62.68 -40.95 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 778' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -54.06 -35.3 61.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -84.23 -43.56 14.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -48.45 -40.35 25.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -77.08 83.69 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -146.75 174.77 11.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -122.02 -49.37 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -84.43 64.87 8.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -67.1 104.63 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -110.17 135.91 50.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 47.0 t -144.32 156.82 44.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -77.92 175.99 54.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 86.89 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.332 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 90.0 p -134.78 164.71 26.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 43.8 p -110.0 131.1 55.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 60.2 p -60.7 -21.19 62.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 22.7 p -75.81 173.85 10.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 80.72 146.84 4.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 77.9 p -64.92 -42.5 94.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 68.0 p -53.72 128.99 31.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 152.16 76.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -121.99 43.35 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.357 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.08 79.64 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -109.01 161.45 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -127.72 171.12 11.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -120.84 34.08 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -97.73 159.52 14.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -76.49 58.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -114.99 -50.86 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 20.8 mt -63.08 -39.6 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -59.8 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -47.23 -51.71 17.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 728' ' ' ALA . . . . . 0.446 ' HB1' HD13 ' A' ' 763' ' ' ILE . . . -62.49 -52.93 61.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -54.13 -33.16 57.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -66.12 -56.43 11.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 731' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 735' ' ' MET . 0.2 OUTLIER -54.83 -30.23 56.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 732' ' ' PHE . . . . . 0.471 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 43.2 t80 -78.3 -62.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -49.97 -42.43 48.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -73.05 -42.24 63.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 735' ' ' MET . . . . . 0.471 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 9.3 tmm? -57.08 -49.37 76.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 736' ' ' MET . . . . . 0.521 ' HG2' ' CZ ' ' A' ' 750' ' ' PHE . 42.3 mtm -64.87 -43.29 93.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -51.63 -41.92 61.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -70.2 -45.58 66.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 739' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -57.42 -32.54 66.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 740' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 739' ' ' ALA . 18.3 ttpt 34.38 36.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 741' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 739' ' ' ALA . 4.8 p90 -55.11 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -94.29 144.0 27.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.594 0.711 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -11.65 31.29 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -67.06 -31.5 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -67.38 166.56 14.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 749' ' ' GLU . 14.9 t -105.75 164.59 11.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -55.51 -39.53 70.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 7.3 t -63.69 -47.73 80.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.81 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 749' ' ' GLU . . . . . 0.676 ' H ' HG23 ' A' ' 746' ' ' THR . 38.5 mm-40 -59.64 -44.92 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.521 ' CZ ' ' HG2' ' A' ' 736' ' ' MET . 21.0 t80 -62.05 -49.62 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.651 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -53.49 -60.27 3.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.095 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.45 34.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -45.8 -45.14 14.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 754' ' ' HIS . . . . . 0.543 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 10.0 m-70 -114.45 37.17 3.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -86.69 -36.51 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -61.39 -27.27 68.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 757' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 758' ' ' SER . 36.9 t70 -60.54 102.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 758' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 757' ' ' ASP . 28.4 t -35.13 -59.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.847 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -44.56 -53.49 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 1.3 t80 -52.02 -43.45 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -55.82 -32.77 63.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -42.47 -36.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 763' ' ' ILE . . . . . 0.617 HG22 ' HG3' ' A' ' 769' ' ' ARG . 44.4 mm -96.55 97.71 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -97.49 -33.33 11.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -48.2 100.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 9.6 ttt -44.62 -44.66 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -59.22 -48.14 82.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -62.01 -42.88 99.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.617 ' HG3' HG22 ' A' ' 763' ' ' ILE . 59.1 mtp180 -63.99 -46.0 86.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -65.31 -43.83 89.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -66.22 -65.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 41.3 mt -47.07 -44.07 20.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -67.58 -54.49 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 774' ' ' ASN . . . . . 0.454 ' O ' HG22 ' A' ' 777' ' ' VAL . 80.9 m-20 -45.37 -51.89 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 775' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 776' ' ' PHE . 10.6 pt-20 -63.1 -39.97 96.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 776' ' ' PHE . . . . . 0.416 ' N ' ' HG3' ' A' ' 775' ' ' GLU . 62.3 t80 -54.83 -58.4 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 774' ' ' ASN . 34.7 m -59.27 -36.4 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -55.81 -43.4 76.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -83.92 -32.89 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -53.75 -41.07 66.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -77.94 80.63 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -148.7 171.78 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -113.6 -49.29 2.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -85.53 52.18 2.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 785' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 785' ' ' LYS . 2.9 tmmm? -81.37 138.23 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.412 ' N ' ' HD2' ' A' ' 785' ' ' LYS . 13.0 tt0 -127.56 161.82 27.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 91.0 p -92.3 -41.93 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -151.65 83.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 105.33 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 59.0 m -38.86 127.73 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 4.2 m -97.55 91.51 5.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.549 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 11.9 m -144.79 164.46 30.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 94.7 p -106.89 -29.47 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -84.66 106.1 2.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 7.4 t -88.98 125.02 34.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.82 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 98.4 p -76.51 122.65 24.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -139.46 59.21 0.59 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -119.36 128.13 53.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 19.1 mmm-85 -79.62 171.42 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 719' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 719' ' ' ARG . 0.0 OUTLIER -96.56 171.78 8.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 720' ' ' GLU . . . . . 0.41 ' O ' HD12 ' A' ' 725' ' ' ILE . 4.4 tp10 -95.47 146.76 24.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -82.15 46.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -106.37 136.46 46.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 723' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 726' ' ' MET . 2.5 t-20 -51.92 -47.62 64.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 724' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 723' ' ' ASN . 3.5 ttmm -34.68 -56.61 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.41 HD12 ' O ' ' A' ' 720' ' ' GLU . 75.2 mt -53.95 -42.02 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 726' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 723' ' ' ASN . 46.3 mmm -63.41 -63.55 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -46.23 -39.0 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -71.19 -43.52 67.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -61.04 -32.16 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.26 -49.18 24.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -62.95 -24.49 67.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 732' ' ' PHE . . . . . 0.523 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 35.8 t80 -77.44 -65.6 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 733' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 734' ' ' LYS . 8.6 ptpp? -49.66 -39.43 36.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 734' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 733' ' ' LYS . 68.6 mttt -73.77 -43.9 57.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 735' ' ' MET . . . . . 0.523 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 8.5 tmm? -57.7 -42.18 83.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 52.5 mtm -68.4 -47.62 66.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -50.25 -42.07 51.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -70.64 -45.89 64.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 739' ' ' ALA . . . . . 0.469 ' HB1' ' CE1' ' A' ' 754' ' ' HIS . . . -46.53 -32.15 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt 55.18 48.95 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 741' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 3.5 p90 -87.62 161.88 17.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -91.53 144.54 29.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -15.12 36.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -62.4 -39.83 94.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -57.63 144.4 37.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 749' ' ' GLU . 8.6 t -82.67 143.14 31.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -38.62 -47.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 43.8 t -52.93 -52.91 56.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 749' ' ' GLU . . . . . 0.654 ' H ' HG23 ' A' ' 746' ' ' THR . 11.0 mt-10 -58.93 -46.76 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -58.55 -62.15 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.548 ' HB1' HH21 ' A' ' 769' ' ' ARG . . . -41.6 -53.26 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -67.97 -28.84 67.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 753' ' ' LYS . . . . . 0.406 ' HA ' ' CE ' ' A' ' 753' ' ' LYS . 0.0 OUTLIER -69.55 -37.2 76.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 754' ' ' HIS . . . . . 0.469 ' CE1' ' HB1' ' A' ' 739' ' ' ALA . 46.9 m80 -116.76 31.73 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.51 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -75.78 -39.79 56.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -59.9 -29.79 68.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 757' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.4 t70 -60.98 101.55 0.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 758' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 757' ' ' ASP . 11.8 t -35.5 -61.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -41.88 -53.87 3.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.51 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 5.0 t80 -51.89 -46.42 64.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -51.13 -37.6 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.21 -42.29 6.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 763' ' ' ILE . . . . . 0.569 HG22 ' HG3' ' A' ' 769' ' ' ARG . 35.0 mm -84.34 96.49 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -99.58 -37.5 9.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -46.46 100.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 13.5 ttt -42.48 -41.7 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -62.23 -47.01 86.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.45 -41.06 96.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.569 ' HG3' HG22 ' A' ' 763' ' ' ILE . 59.2 mtp180 -65.46 -52.14 55.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 774' ' ' ASN . 15.4 tt0 -61.14 -35.01 75.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -75.12 -68.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 47.7 mt -42.8 -42.19 3.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 773' ' ' PHE . . . . . 0.494 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 66.5 t80 -68.84 -49.6 57.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 774' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 770' ' ' GLU . 77.1 m-20 -50.28 -41.03 50.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -67.63 -56.3 9.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -47.72 -56.34 7.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.494 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 25.6 m -61.4 -43.43 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 778' ' ' ALA . . . . . 0.494 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -48.78 -42.96 37.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -81.86 -41.96 20.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -46.07 -45.22 16.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -73.11 176.23 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 158.86 18.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -126.52 89.28 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -76.03 48.92 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.49 -56.78 3.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -86.8 157.77 19.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 5.0 t -106.79 -54.54 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -166.96 -93.11 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 120.75 7.5 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.721 2.28 . . . . 0.0 112.372 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 3.1 m -161.72 117.15 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 9.6 t -67.29 130.89 44.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 2.3 m -102.08 109.45 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 78.4 p -139.89 121.31 15.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -93.44 -138.75 9.05 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 4.4 m -71.67 125.78 27.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.878 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 32.1 t -143.17 146.87 34.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -177.35 144.66 6.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -121.13 109.56 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 718' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 718' ' ' ARG . 19.2 ttp-105 -57.3 149.77 19.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -112.64 -46.17 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -120.46 131.84 54.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.07 -45.37 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -48.2 151.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 723' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 723' ' ' ASN . 6.1 p-10 -79.1 45.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -89.58 -50.63 5.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.1 mm -38.12 -49.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 9.2 mmt -56.85 -58.51 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.26 -55.32 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -57.25 -61.19 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -43.0 -39.73 2.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.06 -51.81 65.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 731' ' ' ASP . . . . . 0.449 ' OD1' ' C ' ' A' ' 731' ' ' ASP . 0.2 OUTLIER -57.75 -29.36 64.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 732' ' ' PHE . . . . . 0.41 ' CD2' HD13 ' A' ' 772' ' ' LEU . 39.0 t80 -75.32 -69.21 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 733' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 734' ' ' LYS . 0.0 OUTLIER -46.42 -39.85 11.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 734' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 733' ' ' LYS . 34.7 mttp -72.9 -41.67 64.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 26.4 ttp -56.8 -43.09 80.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 736' ' ' MET . . . . . 0.441 ' SD ' ' CZ ' ' A' ' 750' ' ' PHE . 52.6 mtm -69.61 -46.23 66.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -48.29 -45.99 35.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -69.02 -46.55 67.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -43.85 -46.0 7.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt 62.93 42.9 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -77.29 176.19 9.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -101.25 143.95 27.6 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -5.88 17.28 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.252 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -77.35 -36.6 53.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -48.58 165.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.27 142.38 37.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -42.8 -49.33 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 1.3 t -48.76 -42.94 37.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.79 -65.31 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.492 ' CE2' ' NE2' ' A' ' 754' ' ' HIS . 28.8 t80 -40.21 -41.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -70.68 -48.61 53.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -52.61 -38.53 60.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -79.92 -62.0 1.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 754' ' ' HIS . . . . . 0.492 ' NE2' ' CE2' ' A' ' 750' ' ' PHE . 30.1 m-70 -55.02 -21.42 12.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -48.78 -56.97 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -53.83 -29.36 40.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 757' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 758' ' ' SER . 19.8 t0 -62.0 102.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 758' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 757' ' ' ASP . 15.5 m -34.63 -62.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -40.03 -54.22 2.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 760' ' ' PHE . 4.9 t80 -51.12 -47.95 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -48.41 -22.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -57.04 -38.44 73.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 43.1 mm -86.87 120.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 764' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 765' ' ' LYS . 1.6 tt0 -105.84 -58.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 765' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 764' ' ' GLU . 12.5 mmtp -36.64 111.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.29 -48.05 71.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -54.54 -34.93 62.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -68.22 -44.27 76.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -60.23 -50.89 71.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -68.67 -37.77 79.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -62.93 -66.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 772' ' ' LEU . . . . . 0.41 HD13 ' CD2' ' A' ' 732' ' ' PHE . 36.6 mt -49.49 -48.2 48.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -59.35 -41.52 89.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 774' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 778' ' ' ALA . 2.7 m120 -60.58 -42.93 97.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.21 -55.17 20.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -47.33 -63.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 778' ' ' ALA . 11.9 m -55.88 -43.71 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 778' ' ' ALA . . . . . 0.505 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -48.14 -40.4 23.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -88.17 -35.67 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -52.99 -49.25 66.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -58.92 -40.66 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 782' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 784' ' ' GLU . 48.8 mttp -70.49 -66.8 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 783' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 782' ' ' LYS . 47.4 tttt -34.41 -33.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 782' ' ' LYS . 8.9 tt0 -81.99 40.8 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 785' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 784' ' ' GLU . 1.7 mptp? -34.38 -42.3 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.47 115.64 14.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 35.6 t -93.89 141.52 28.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -142.86 146.44 17.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 94.32 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.637 2.224 . . . . 0.0 112.345 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 12.2 m -57.96 128.01 34.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 78.9 p -124.1 132.23 53.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 10.7 m -94.4 42.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 94.1 p -130.55 126.65 37.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 171.95 -136.92 4.04 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 38.4 t -50.83 120.45 4.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.844 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 21.4 t -170.48 155.04 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -136.12 147.12 19.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 717' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 717' ' ' GLU . 2.2 pm0 -72.28 146.37 47.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.847 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -107.83 38.67 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -78.19 89.4 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.77 37.85 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -113.16 -56.18 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 722' ' ' LYS . . . . . 0.453 ' HB2' HD11 ' A' ' 725' ' ' ILE . 20.4 mmtm -71.25 107.47 4.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.71 -44.11 97.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 724' ' ' LYS . . . . . 0.416 ' C ' ' HD3' ' A' ' 724' ' ' LYS . 0.0 OUTLIER -42.0 -35.5 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.453 HD11 ' HB2' ' A' ' 722' ' ' LYS . 93.5 mt -44.27 -43.75 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 76.9 mtm -56.39 -59.46 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -48.04 -57.12 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -57.19 -63.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -44.11 -38.33 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -61.69 -50.01 74.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.99 -30.23 71.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.813 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 732' ' ' PHE . . . . . 0.539 ' CD2' HD13 ' A' ' 772' ' ' LEU . 39.9 t80 -71.92 -64.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -47.6 -41.08 21.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -75.86 -37.68 58.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 49.1 ttp -60.65 -34.71 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 54.6 mtm -78.71 -47.69 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.79 -41.64 44.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -76.43 -48.65 18.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -38.47 -42.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp 61.91 43.35 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 741' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 5.9 p90 -78.93 177.31 8.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -103.98 143.97 27.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -7.38 20.93 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.706 2.27 . . . . 0.0 112.336 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 58.3 mmt-85 -79.11 -40.05 32.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -49.03 145.59 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 749' ' ' GLU . 7.9 t -86.37 135.54 33.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 747' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 7.5 t80 -38.02 -43.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 26.1 t -52.22 -44.91 65.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 749' ' ' GLU . . . . . 0.526 ' H ' HG23 ' A' ' 746' ' ' THR . 5.9 mt-10 -70.87 -54.49 11.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -50.86 -40.76 57.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -68.02 -50.08 57.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -56.82 -43.06 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -69.16 -55.14 11.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -66.94 -8.05 26.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.529 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -54.78 -61.87 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -45.28 -28.95 0.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 757' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.1 t70 -62.93 101.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 758' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 757' ' ' ASP . 8.9 t -37.54 -56.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 759' ' ' ARG . . . . . 0.437 ' NE ' ' HA ' ' A' ' 759' ' ' ARG . 15.8 mmp_? -45.85 -49.38 15.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.529 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 13.1 t80 -55.74 -42.82 75.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -53.21 -17.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -65.52 -37.48 86.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 29.1 mm -90.29 113.75 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 764' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 766' ' ' MET . 1.4 tt0 -106.15 -47.13 3.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -39.46 94.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 766' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 764' ' ' GLU . 10.6 ttt -42.54 -48.04 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.827 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -53.85 -43.29 69.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -63.22 -40.22 96.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.466 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 49.5 mtt180 -56.73 -55.49 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -65.24 -32.69 74.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.86 -62.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 772' ' ' LEU . . . . . 0.539 HD13 ' CD2' ' A' ' 732' ' ' PHE . 29.5 mt -54.33 -46.76 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 773' ' ' PHE . . . . . 0.424 ' O ' HG13 ' A' ' 777' ' ' VAL . 90.4 t80 -62.82 -40.55 97.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -59.34 -42.57 91.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.92 -62.91 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -39.29 -60.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.482 HG23 ' N ' ' A' ' 778' ' ' ALA . 6.9 m -59.42 -43.07 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 778' ' ' ALA . . . . . 0.482 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -50.27 -40.91 49.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -90.49 -25.36 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 780' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' A' ' 777' ' ' VAL . . . -68.74 -35.71 77.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -73.43 -50.38 22.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -149.74 169.63 20.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 783' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 785' ' ' LYS . 68.7 mttt -124.26 32.27 5.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 785' ' ' LYS . 12.4 pt-20 -40.44 -26.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 785' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 783' ' ' LYS . 6.9 tmtm? -37.51 98.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.77 160.57 31.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 70.9 m -92.01 -59.5 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 64.74 81.98 0.11 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.449 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 120.46 7.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.315 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 37.4 m -128.75 147.93 50.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 89.3 p -120.78 119.48 32.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 58.1 p -154.0 123.78 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 98.3 p -87.36 111.66 21.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -140.5 -55.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 2.7 m -38.41 -61.67 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 87.0 p -48.74 169.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -145.69 -129.45 2.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.546 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -106.2 112.78 25.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 29.1 ptt85 -111.89 95.16 5.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -109.35 103.64 12.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -139.23 116.9 11.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -55.45 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -62.72 151.81 37.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -79.99 89.98 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -122.94 -48.46 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 66.5 mt -54.22 -57.65 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 16.1 mtm -53.47 -54.91 30.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -49.62 -59.3 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.31 -60.76 3.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -45.71 -41.22 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -58.45 -51.76 68.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -58.68 -28.51 65.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 732' ' ' PHE . . . . . 0.651 ' CD2' HD13 ' A' ' 772' ' ' LEU . 17.0 t80 -76.63 -67.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -44.71 -39.73 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -76.01 -43.27 45.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 735' ' ' MET . . . . . 0.442 ' HE2' ' CD1' ' A' ' 732' ' ' PHE . 33.3 ttp -57.4 -42.92 83.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 56.1 mtm -70.48 -45.98 64.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -48.59 -43.89 36.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -73.31 -40.48 64.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -43.97 -43.99 6.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 61.1 mttt 57.23 47.03 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 741' ' ' PHE . . . . . 0.529 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 5.1 p90 -80.65 173.91 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.14 142.77 25.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -11.89 31.83 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.368 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 42.3 mmt-85 -85.06 0.5 51.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -80.37 166.4 21.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.655 HG23 ' H ' ' A' ' 749' ' ' GLU . 2.3 t -107.91 131.67 54.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -38.5 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 748' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 746' ' ' THR . 16.0 m -65.57 -60.17 3.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 749' ' ' GLU . . . . . 0.655 ' H ' HG23 ' A' ' 746' ' ' THR . 25.8 mm-40 -55.03 -44.25 74.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -59.98 -52.48 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 755' ' ' ALA . . . -51.95 -61.19 2.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -57.15 -54.91 41.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -49.93 -37.81 33.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 754' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 66.3 m-70 -113.37 26.41 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.554 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -80.93 -34.69 33.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -69.53 -22.43 63.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 757' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.3 t70 -61.37 105.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 758' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 757' ' ' ASP . 11.9 t -34.83 -59.62 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -46.02 -53.32 10.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.554 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 2.7 t80 -52.18 -41.66 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -60.11 -36.37 77.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.49 -29.94 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 10.5 mm -88.15 136.74 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -124.18 -59.71 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -39.33 114.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 8.1 ttt -55.69 -51.37 67.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 767' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 771' ' ' ALA . 0.9 OUTLIER -48.74 -35.75 14.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.94 -52.18 31.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -52.03 -51.0 60.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.61 -55.65 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 771' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 767' ' ' LYS . . . -45.21 -52.38 9.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 772' ' ' LEU . . . . . 0.651 HD13 ' CD2' ' A' ' 732' ' ' PHE . 35.8 mt -59.39 -58.43 8.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 773' ' ' PHE . . . . . 0.457 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 91.0 t80 -51.48 -34.53 36.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -61.54 -57.28 12.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -59.46 -37.27 77.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 776' ' ' PHE . . . . . 0.529 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 41.8 t80 -60.34 -59.83 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.457 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 17.7 m -63.48 -40.85 90.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 778' ' ' ALA . . . . . 0.439 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -52.36 -40.84 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -82.51 -46.27 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -44.83 -42.6 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -77.63 97.7 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -139.59 155.29 47.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -77.25 -48.28 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -36.93 -49.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.65 -55.91 8.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -130.51 130.06 43.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 23.2 t -84.72 111.93 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 111.17 71.63 0.64 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 98.73 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.317 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 3.2 m 56.45 41.73 28.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 67.9 p 38.37 42.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 28.7 p -79.74 152.82 29.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 40.5 m -51.02 154.6 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 94.45 60.39 1.11 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.439 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 97.6 p -151.51 121.6 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 5.2 t -134.45 113.88 12.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -134.16 47.48 0.99 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.419 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -139.17 161.51 37.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -67.8 102.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 719' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 720' ' ' GLU . 32.7 mmm-85 -74.21 150.79 40.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 720' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 719' ' ' ARG . 9.4 pt-20 -37.5 109.72 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -126.89 -50.76 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -109.42 173.63 6.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -64.21 -39.18 93.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -38.75 -51.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 19.6 mm -42.42 -68.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 726' ' ' MET . . . . . 0.404 ' HA ' ' NZ ' ' A' ' 729' ' ' LYS . 15.1 mtp -48.85 -52.15 25.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -38.54 -56.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.83 90.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 729' ' ' LYS . . . . . 0.404 ' NZ ' ' HA ' ' A' ' 726' ' ' MET . 5.2 mtmp? -61.6 -29.44 70.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -68.33 -54.54 16.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -60.93 -28.32 68.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 732' ' ' PHE . . . . . 0.472 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 53.1 t80 -78.04 -61.87 1.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -51.36 -43.33 61.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -71.53 -38.76 71.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 735' ' ' MET . . . . . 0.472 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 9.3 tmm? -60.99 -45.72 93.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 736' ' ' MET . . . . . 0.441 ' HG2' ' CE1' ' A' ' 750' ' ' PHE . 48.1 mtm -65.7 -43.66 88.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.02 -43.48 73.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -64.28 -50.17 68.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 739' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -59.68 -27.55 66.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 740' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 739' ' ' ALA . 5.6 ttpt 34.35 51.98 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 741' ' ' PHE . . . . . 0.579 ' HE1' HG12 ' A' ' 777' ' ' VAL . 4.8 p90 -63.36 -179.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -92.76 144.0 27.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.596 0.713 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -13.37 34.54 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -69.3 -37.93 78.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -60.87 159.0 11.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.449 HG23 ' H ' ' A' ' 749' ' ' GLU . 8.9 t -104.77 149.26 25.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 747' ' ' PHE . . . . . 0.418 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 3.0 t80 -39.24 -40.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.6 t -56.91 -58.22 9.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 749' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 753' ' ' LYS . 37.5 mt-10 -54.22 -41.73 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.441 ' CE1' ' HG2' ' A' ' 736' ' ' MET . 22.8 t80 -63.38 -43.73 96.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.565 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -62.49 -57.49 11.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.8 93.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 753' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 749' ' ' GLU . 16.0 mmtp -61.78 -42.75 99.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 754' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 34.3 m-70 -108.56 27.93 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -78.59 -33.13 47.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -66.07 -26.98 67.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 757' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 758' ' ' SER . 34.3 t70 -64.79 100.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 758' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 757' ' ' ASP . 1.9 m -34.91 -61.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 759' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 762' ' ' ALA . 49.6 mtt180 -42.16 -54.21 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 751' ' ' ALA . 1.1 t80 -51.66 -45.96 63.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -52.99 -32.61 47.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 762' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 759' ' ' ARG . . . -47.45 -35.79 9.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 763' ' ' ILE . . . . . 0.709 HG22 ' HG3' ' A' ' 769' ' ' ARG . 43.9 mm -88.44 92.7 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.58 -43.21 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -46.09 105.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -42.79 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -57.33 -37.06 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.11 -43.92 55.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.709 ' HG3' HG22 ' A' ' 763' ' ' ILE . 30.2 mtp180 -61.41 -48.41 81.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 770' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 774' ' ' ASN . 9.8 tt0 -70.14 -39.38 75.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.97 -61.03 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.52 -46.18 80.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 773' ' ' PHE . . . . . 0.512 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 76.1 t80 -65.78 -43.15 89.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 774' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 770' ' ' GLU . 50.5 m-20 -52.89 -56.16 17.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -60.03 -37.54 80.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -56.15 -61.65 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.579 HG12 ' HE1' ' A' ' 741' ' ' PHE . 18.5 m -61.67 -34.37 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -56.9 -38.4 72.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -88.0 -39.08 14.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -49.97 -38.98 39.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 781' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 781' ' ' ARG . 3.9 ptm85 -79.08 174.32 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -63.9 153.46 36.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 783' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 784' ' ' GLU . 30.4 pttt -115.27 -40.65 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 783' ' ' LYS . 3.1 tp10 -38.01 -42.2 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 785' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 786' ' ' GLU . 0.2 OUTLIER -41.1 126.76 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 785' ' ' LYS . 15.5 tp10 -35.42 -49.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 787' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 786' ' ' GLU . 57.7 m -37.29 -61.33 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 788' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 787' ' ' SER . . . 37.21 62.59 0.87 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 789' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 790' ' ' SER . 54.0 Cg_endo -69.76 -47.64 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.366 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 790' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 789' ' ' PRO . 38.8 m 35.81 38.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 8.0 t -166.72 162.39 16.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 57.9 m -53.47 129.36 32.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 75.5 m -42.83 129.25 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -76.71 175.44 53.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 99.1 p -160.45 139.3 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 2.6 t -103.2 168.57 9.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -149.39 -169.84 16.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -83.89 44.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 718' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 719' ' ' ARG . 10.0 ptp180 -44.23 -36.98 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 719' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 718' ' ' ARG . 15.6 ttm180 -128.59 85.26 2.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.46 11.76 9.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -95.97 -51.27 4.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -98.55 151.78 20.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -95.76 40.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -80.37 -43.71 20.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.68 -47.93 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -55.77 30.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -52.79 -57.9 8.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -53.9 -55.17 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 729' ' ' LYS . . . . . 0.467 ' HE2' HD21 ' A' ' 772' ' ' LEU . 67.3 mttt -51.38 -38.58 54.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -61.23 -56.0 25.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 731' ' ' ASP . . . . . 0.446 ' OD1' ' C ' ' A' ' 731' ' ' ASP . 0.6 OUTLIER -53.97 -31.0 49.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 732' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -73.38 -69.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -46.26 -38.55 8.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.19 -40.06 62.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 35.1 ttp -59.42 -41.67 90.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 71.1 mtm -69.97 -48.91 56.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -49.0 -42.9 39.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -68.73 -48.34 64.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -51.58 -45.78 63.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 62.47 43.07 8.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 741' ' ' PHE . . . . . 0.448 ' HE1' HG12 ' A' ' 777' ' ' VAL . 8.2 p90 -67.93 178.93 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -102.58 144.03 27.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.655 0.741 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -19.42 36.08 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.246 . . . . 0.0 112.357 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 744' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 745' ' ' ALA . 0.3 OUTLIER -60.76 -38.0 83.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 745' ' ' ALA . . . . . 0.467 ' N ' ' HD3' ' A' ' 744' ' ' ARG . . . -60.98 168.11 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.653 HG23 ' H ' ' A' ' 749' ' ' GLU . 6.4 t -108.46 154.64 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 747' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 8.8 t80 -52.43 -40.22 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 2.7 t -55.84 -57.89 10.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 749' ' ' GLU . . . . . 0.653 ' H ' HG23 ' A' ' 746' ' ' THR . 0.0 OUTLIER -58.93 -52.4 65.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -51.23 -53.12 38.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -49.81 -58.43 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -56.64 -42.16 78.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -59.08 -45.51 90.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 754' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 31.0 m-70 -108.0 27.89 8.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.512 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -80.31 -27.72 38.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -22.59 57.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 757' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -60.61 112.34 1.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 758' ' ' SER . . . . . . . . . . . . . 60.1 m -40.91 -57.33 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -48.93 -46.88 43.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.512 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 4.3 t80 -57.64 -39.8 77.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -54.63 -21.73 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.8 89.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 763' ' ' ILE . . . . . 0.709 HG22 ' HG3' ' A' ' 769' ' ' ARG . 25.2 mm -90.69 79.77 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -82.23 -30.52 30.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.31 93.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -42.31 -47.04 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -51.27 -49.44 61.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.11 -34.93 77.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.709 ' HG3' HG22 ' A' ' 763' ' ' ILE . 53.9 mtm180 -65.73 -51.98 54.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -59.6 -42.23 92.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.56 -60.57 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 772' ' ' LEU . . . . . 0.467 HD21 ' HE2' ' A' ' 729' ' ' LYS . 95.6 mt -55.32 -50.24 70.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 773' ' ' PHE . . . . . 0.616 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 64.3 t80 -59.52 -44.05 93.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -51.03 -51.1 56.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -58.63 -54.73 43.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -46.06 -63.04 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.616 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 8.1 m -60.59 -35.58 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -54.16 -35.97 62.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -93.2 -41.63 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 780' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -47.97 -33.57 7.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 781' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 780' ' ' ALA . 26.2 mtp180 -35.6 -60.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -78.52 155.53 29.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 783' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 784' ' ' GLU . 8.8 ttpp -94.42 -46.24 7.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 783' ' ' LYS . 22.1 mt-10 -35.98 -39.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 785' ' ' LYS . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 785' ' ' LYS . 0.0 OUTLIER -56.39 142.06 39.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -88.23 154.99 19.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 3.9 m -137.19 158.69 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 88.64 161.33 37.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -37.35 9.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 34.6 p -169.6 158.04 7.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.825 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 24.7 p -168.01 148.87 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.454 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 68.5 p -144.33 136.94 26.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 95.4 p -95.49 42.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 62.85 173.38 2.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 8.3 t -119.81 110.96 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 25.3 p -85.67 -46.22 10.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 106.33 95.76 2.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -98.98 114.66 27.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -123.18 36.77 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -95.43 47.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -83.31 46.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 -53.69 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -98.67 164.88 12.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -112.21 -38.97 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 724' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 725' ' ' ILE . 47.5 mtmt -42.94 -44.57 4.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 724' ' ' LYS . 84.8 mt -37.01 -50.69 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 69.5 mtm -58.49 -60.79 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -40.72 -58.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -55.1 -62.39 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -43.27 -40.6 3.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -59.57 -58.3 9.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.97 -29.08 26.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 732' ' ' PHE . . . . . 0.514 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 41.1 t80 -78.7 -66.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -48.23 -39.54 21.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -73.72 -43.81 58.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 735' ' ' MET . . . . . 0.514 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 8.4 tmm? -56.94 -48.7 77.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 44.0 mtm -64.89 -43.94 91.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -50.47 -43.75 55.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -68.65 -46.37 69.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 739' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -60.35 -33.5 72.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 740' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 739' ' ' ALA . 21.9 tttm 34.31 41.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -55.37 -177.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -93.25 143.44 26.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -10.24 28.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.272 . . . . 0.0 112.317 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 744' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 745' ' ' ALA . 1.9 ppt_? -65.87 -37.8 87.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 745' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' A' ' 744' ' ' ARG . . . -63.37 166.12 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.533 HG23 ' H ' ' A' ' 749' ' ' GLU . 15.4 t -108.63 164.99 11.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 747' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 3.1 t80 -55.19 -46.75 75.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 1.4 t -53.17 -59.33 4.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.887 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 749' ' ' GLU . . . . . 0.533 ' H ' HG23 ' A' ' 746' ' ' THR . 7.7 mm-40 -54.05 -42.23 68.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -61.18 -41.15 96.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.63 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -61.24 -57.14 13.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.31 76.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -53.23 -42.75 66.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 754' ' ' HIS . . . . . 0.544 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 72.7 m-70 -110.34 25.78 11.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -77.01 -31.17 56.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -73.22 -26.26 61.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 757' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 758' ' ' SER . 14.6 t70 -60.32 101.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 758' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 757' ' ' ASP . 18.0 m -34.51 -61.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -44.63 -53.35 7.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 754' ' ' HIS . 2.6 t80 -52.03 -43.3 63.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -54.58 -33.4 60.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -41.44 -38.42 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 8.2 mm -91.86 104.42 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.37 -33.38 10.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -56.93 92.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 14.7 ttt -42.38 -43.35 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -52.65 -50.48 63.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -39.7 84.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.57 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 62.8 mtm180 -59.83 -54.44 46.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -57.47 -41.74 81.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -68.63 -66.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 29.9 mt -48.93 -36.68 17.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 773' ' ' PHE . . . . . 0.495 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 89.2 t80 -74.05 -50.14 21.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -50.52 -44.09 56.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -67.28 -58.49 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -43.51 -64.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.567 HG23 ' N ' ' A' ' 778' ' ' ALA . 20.5 m -50.92 -47.28 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 778' ' ' ALA . . . . . 0.567 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -47.28 -41.58 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -82.42 -40.41 21.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -47.45 -52.43 17.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -63.93 166.13 7.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -49.38 158.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -96.99 -36.38 10.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -46.87 -43.81 19.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -60.14 -47.06 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -117.1 85.3 2.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 3.1 m -121.96 157.7 30.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 166.36 146.36 4.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.43 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -175.31 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.262 . . . . 0.0 112.358 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 3.0 t -89.06 129.66 35.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 61.8 p -137.21 154.15 50.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 56.6 m -104.12 149.26 25.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 80.9 p -151.15 113.93 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 168.26 135.33 1.86 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 69.5 m -156.18 137.39 13.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.811 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 65.9 p -115.19 127.6 55.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -177.96 72.97 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -132.85 152.09 51.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 21.7 ttp180 -131.95 92.63 3.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -132.86 42.35 3.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -84.09 39.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -81.31 -52.27 7.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -96.03 175.12 6.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -101.39 -48.22 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -39.72 -48.27 2.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 21.5 mt -40.66 -53.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.98 -58.28 9.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -46.12 -53.65 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 728' ' ' ALA . . . . . 0.636 ' HB1' ' HB1' ' A' ' 762' ' ' ALA . . . -57.68 -59.02 5.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -44.9 -42.29 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.14 -55.47 34.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 731' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 735' ' ' MET . 21.1 m-20 -52.77 -37.58 59.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 732' ' ' PHE . . . . . 0.509 ' CD2' HD13 ' A' ' 772' ' ' LEU . 46.2 t80 -69.96 -63.7 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -50.74 -40.38 54.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -75.39 -44.26 45.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 735' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 39.9 ttp -58.46 -38.62 77.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 44.6 mtm -71.44 -48.29 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -50.34 -40.25 48.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 738' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 739' ' ' ALA . 19.2 mt-10 -78.66 -44.32 24.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 739' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 738' ' ' GLU . . . -34.56 -40.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp 61.41 41.51 12.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 741' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 4.7 p90 -83.3 172.25 12.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -96.4 143.79 26.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.08 3.89 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.287 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -88.89 -38.42 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -44.24 149.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 749' ' ' GLU . 11.8 t -92.35 139.89 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -43.48 -47.19 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.0 t -48.17 -40.09 22.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 749' ' ' GLU . . . . . 0.519 ' H ' HG23 ' A' ' 746' ' ' THR . 5.8 mt-10 -75.27 -63.96 1.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.461 ' CE2' ' NE2' ' A' ' 754' ' ' HIS . 17.4 t80 -43.26 -44.51 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -69.24 -51.28 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -54.1 -35.04 61.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -80.33 -63.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 754' ' ' HIS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 760' ' ' PHE . 27.9 m-70 -52.08 -30.41 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.545 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -40.89 -67.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -41.11 -30.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 757' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 758' ' ' SER . 7.4 t0 -70.58 103.37 2.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 758' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 757' ' ' ASP . 15.1 m -34.76 -61.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -38.92 -52.83 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 754' ' ' HIS . 18.7 t80 -53.21 -49.75 66.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 761' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 762' ' ' ALA . 39.9 mtpt -44.05 -37.59 3.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 762' ' ' ALA . . . . . 0.636 ' HB1' ' HB1' ' A' ' 728' ' ' ALA . . . -36.87 -42.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.066 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 763' ' ' ILE . . . . . 0.453 HG22 ' HG3' ' A' ' 769' ' ' ARG . 46.8 mm -82.48 92.87 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -82.55 -54.6 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -46.7 107.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 3.4 ttt -50.71 -51.32 50.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 767' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 767' ' ' LYS . 0.0 OUTLIER -46.43 -40.53 12.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.78 -48.17 69.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.453 ' HG3' HG22 ' A' ' 763' ' ' ILE . 48.0 mtp180 -49.08 -55.96 10.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -62.75 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -56.24 -66.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 772' ' ' LEU . . . . . 0.509 HD13 ' CD2' ' A' ' 732' ' ' PHE . 40.0 mt -45.91 -58.73 3.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 773' ' ' PHE . . . . . 0.493 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 62.1 t80 -52.83 -61.84 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -39.54 -43.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -69.08 -57.74 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 776' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 776' ' ' PHE . 4.6 t80 -44.12 -52.1 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.493 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 28.7 m -67.77 -32.97 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -56.01 -37.63 69.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.162 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -88.18 -42.07 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 780' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -57.56 -52.51 65.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 781' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 780' ' ' ALA . 12.7 ptm180 -35.86 -47.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.84 154.98 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -118.56 22.84 11.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -48.9 -23.15 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.82 141.33 39.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.419 ' HA ' ' C ' ' A' ' 792' ' ' GLY . 6.1 mp0 -120.83 84.28 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 19.5 m -71.17 143.75 50.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -75.38 -65.19 2.13 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -1.97 9.37 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 2.8 m -125.66 152.73 44.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 15.9 t -67.61 126.68 30.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 792' ' ' GLY . . . . . 0.419 ' C ' ' HA ' ' A' ' 786' ' ' GLU . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 8.3 t -102.54 104.46 14.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.876 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 3.3 m -88.64 153.76 20.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 84.87 -125.72 7.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 3.6 t 44.14 42.1 4.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 79.4 p -128.67 168.26 16.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 162.64 68.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.82 138.04 58.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -57.22 139.4 52.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.33 102.55 6.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -81.63 151.67 27.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -96.13 46.95 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 722' ' ' LYS . . . . . 0.434 ' NZ ' ' HG2' ' A' ' 724' ' ' LYS . 1.9 mmmp? -111.69 121.13 44.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -59.39 -34.87 72.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 724' ' ' LYS . . . . . 0.434 ' HG2' ' NZ ' ' A' ' 722' ' ' LYS . 0.0 OUTLIER -41.85 -27.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 55.1 mt -58.63 -53.54 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 30.7 mtm -58.99 -62.84 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -44.28 -54.31 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.41 -51.68 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -56.11 -32.26 64.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.72 -55.94 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 731' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 732' ' ' PHE . 1.0 OUTLIER -52.46 -38.88 60.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 732' ' ' PHE . . . . . 0.494 ' CE1' ' NH2' ' A' ' 769' ' ' ARG . 11.5 t80 -70.98 -72.47 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -43.07 -36.36 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -77.66 -47.21 19.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 28.9 ttp -55.65 -38.89 70.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 58.6 mtm -72.62 -51.46 19.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -45.17 -41.69 8.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.61 -43.41 55.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 739' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -48.96 -22.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 740' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 739' ' ' ALA . 6.1 mtpm? 36.01 49.72 0.62 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 741' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 4.9 p90 -79.72 163.03 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -83.44 142.34 43.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -16.43 37.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.307 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -67.22 -34.16 76.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -53.15 169.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 36.8 p -110.32 157.0 19.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -54.52 -42.67 71.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 11.1 t -54.84 -56.42 19.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -58.13 6.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -52.04 -44.94 64.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.585 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -55.63 -40.67 72.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 752' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' A' ' 755' ' ' ALA . . . -79.21 -23.9 43.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -64.45 -52.55 57.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -105.47 18.24 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -55.38 -37.9 68.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -95.92 20.11 10.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 757' ' ' ASP . . . . . 0.445 ' OD1' ' C ' ' A' ' 757' ' ' ASP . 20.5 t0 -100.16 108.51 20.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 758' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 757' ' ' ASP . 30.4 t -36.49 -59.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 759' ' ' ARG . . . . . 0.438 ' CD ' ' HB2' ' A' ' 731' ' ' ASP . 9.5 mmt180 -47.78 -50.28 26.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.645 ' CE2' ' NH2' ' A' ' 769' ' ' ARG . 0.9 OUTLIER -54.39 -40.42 68.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -59.42 -29.16 67.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 762' ' ' ALA . . . . . 0.501 ' C ' HD13 ' A' ' 763' ' ' ILE . . . -42.7 -32.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 763' ' ' ILE . . . . . 0.501 HD13 ' C ' ' A' ' 762' ' ' ALA . 6.6 mm -112.62 82.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 764' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 765' ' ' LYS . 6.9 pt-20 -78.04 -38.35 44.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 765' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 764' ' ' GLU . 27.6 mttm -48.28 94.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -41.42 -54.81 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -50.22 -47.85 54.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -61.52 -34.24 75.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.645 ' NH2' ' CE2' ' A' ' 760' ' ' PHE . 28.3 mtp85 -66.28 -54.78 20.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -54.77 -36.96 65.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -68.45 -66.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 51.3 mt -49.31 -39.68 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 773' ' ' PHE . . . . . 0.54 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 76.0 t80 -69.62 -47.09 64.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -53.3 -42.51 66.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -68.33 -58.13 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 776' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 776' ' ' PHE . 11.0 t80 -44.52 -62.21 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.54 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 16.6 m -55.55 -44.84 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 778' ' ' ALA . . . . . 0.512 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -51.03 -32.43 21.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.037 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -86.82 -38.4 16.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.05 83.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -52.45 174.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -52.69 178.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.17 -11.33 8.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -105.01 37.53 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -116.46 -179.31 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -112.09 168.1 9.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 80.2 p -122.43 -51.18 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 128.14 -95.19 0.39 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 88.56 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 39.2 p -91.34 128.22 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 35.0 p -172.8 137.04 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 2.3 t 59.99 42.03 16.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 88.3 p -122.16 126.24 47.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 71.41 166.85 7.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.524 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 19.7 m -112.28 103.27 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.351 . . . . 0.0 110.835 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 2.7 t -165.79 154.97 11.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -86.56 107.92 3.25 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -124.74 155.6 39.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.826 0.346 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -53.6 176.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -130.4 144.27 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -44.65 166.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -90.66 41.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -121.51 128.5 52.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -70.47 84.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -125.98 -49.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.675 ' H ' HD12 ' A' ' 725' ' ' ILE . 5.3 mp -51.47 -55.93 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 31.4 mtp -46.19 -63.07 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -41.64 -55.4 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.67 -58.74 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -47.28 -39.03 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.82 -52.66 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 731' ' ' ASP . . . . . 0.468 ' HB3' ' CG ' ' A' ' 759' ' ' ARG . 9.3 m-20 -55.18 -32.53 62.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 732' ' ' PHE . . . . . 0.674 ' CD2' HD13 ' A' ' 772' ' ' LEU . 53.0 t80 -78.58 -65.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 733' ' ' LYS . . . . . 0.472 ' HD2' ' CG ' ' A' ' 734' ' ' LYS . 0.0 OUTLIER -49.08 -37.93 22.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 734' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 733' ' ' LYS . 21.0 mttm -75.12 -41.99 57.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 735' ' ' MET . . . . . 0.46 ' CE ' ' CD1' ' A' ' 732' ' ' PHE . 7.7 tmm? -56.49 -38.78 72.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 50.5 mtm -73.56 -51.7 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -44.86 -41.56 7.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -76.48 -40.71 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -50.25 -37.44 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt 53.04 45.86 27.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -75.12 179.69 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -104.1 142.15 24.0 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -12.82 33.8 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -65.37 -40.01 93.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -60.75 144.56 52.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.66 HG23 ' H ' ' A' ' 749' ' ' GLU . 8.8 t -82.64 163.94 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -57.93 -41.96 83.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 43.1 t -57.06 -55.09 39.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 749' ' ' GLU . . . . . 0.66 ' H ' HG23 ' A' ' 746' ' ' THR . 29.0 mm-40 -58.08 -47.58 82.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.98 -39.27 88.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.792 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -59.58 -58.78 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.054 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.4 66.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -49.87 -41.99 46.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 754' ' ' HIS . . . . . 0.54 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 14.8 m-70 -117.22 39.57 3.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.792 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -93.44 -30.75 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -70.12 -18.06 63.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 757' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 758' ' ' SER . 8.3 t70 -66.02 107.31 1.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 758' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 757' ' ' ASP . 35.7 m -35.15 -60.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 759' ' ' ARG . . . . . 0.468 ' CG ' ' HB3' ' A' ' 731' ' ' ASP . 0.0 OUTLIER -45.37 -52.98 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 755' ' ' ALA . 0.6 OUTLIER -51.88 -42.76 62.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -54.33 -30.96 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -43.41 -44.28 5.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 763' ' ' ILE . . . . . 0.617 HG22 ' HG3' ' A' ' 769' ' ' ARG . 29.8 mm -79.71 116.09 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -105.62 -60.6 1.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -45.74 121.28 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 7.8 ttt -55.69 -55.97 25.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -40.61 -42.8 1.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -66.49 -50.07 64.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.617 ' HG3' HG22 ' A' ' 763' ' ' ILE . 55.0 mtp180 -50.94 -54.86 20.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -64.39 -40.11 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -57.58 -68.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 772' ' ' LEU . . . . . 0.674 HD13 ' CD2' ' A' ' 732' ' ' PHE . 44.0 mt -48.2 -55.9 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 773' ' ' PHE . . . . . 0.472 ' O ' HG22 ' A' ' 777' ' ' VAL . 84.2 t80 -52.25 -42.32 63.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 774' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 778' ' ' ALA . 32.9 m-20 -59.27 -42.81 92.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -65.38 -56.25 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 776' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 776' ' ' PHE . 4.4 t80 -48.91 -60.56 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 773' ' ' PHE . 17.0 m -57.88 -37.58 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 778' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 774' ' ' ASN . . . -53.87 -40.42 66.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -85.6 -49.74 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -45.88 -50.74 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -54.95 153.44 6.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -60.23 142.02 55.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.82 33.46 5.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.35 -11.69 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.981 0.42 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -43.34 149.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -117.84 -54.51 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 16.6 t -58.24 140.29 53.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -129.16 83.43 0.33 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 156.06 64.19 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 69.2 p -162.12 165.22 27.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 84.8 p -104.28 170.17 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 4.1 m 51.22 42.13 28.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 39.8 t -87.44 147.36 25.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -77.39 115.8 4.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 17.9 t -116.3 147.34 41.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.923 0.392 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 1.3 t -103.9 96.69 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 170.21 86.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 717' ' ' GLU . . . . . 0.434 ' O ' ' NH2' ' A' ' 719' ' ' ARG . 0.0 OUTLIER -62.7 154.65 28.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 110.928 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.22 161.12 16.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 719' ' ' ARG . . . . . 0.434 ' NH2' ' O ' ' A' ' 717' ' ' GLU . 0.0 OUTLIER -69.94 96.7 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -106.88 109.35 21.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -127.48 -63.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 722' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 723' ' ' ASN . 14.1 tttp -132.99 144.34 50.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 723' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 724' ' ' LYS . 8.4 p30 -35.26 -42.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 724' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 723' ' ' ASN . 42.6 mtmt -34.67 -66.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 724' ' ' LYS . 73.2 mt -36.19 -58.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 10.0 mmt -58.38 -51.12 71.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -46.21 -61.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -57.54 -62.51 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 729' ' ' LYS . . . . . 0.676 ' HE2' HD21 ' A' ' 772' ' ' LEU . 46.8 mttt -43.21 -37.88 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.89 -53.09 59.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 731' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 735' ' ' MET . 75.8 m-20 -54.78 -40.27 69.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 732' ' ' PHE . . . . . 0.558 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 57.1 t80 -70.24 -64.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -48.19 -45.9 34.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -71.54 -39.68 70.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 735' ' ' MET . . . . . 0.558 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 9.0 tmm? -58.69 -45.21 89.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 736' ' ' MET . . . . . 0.419 ' HE3' ' CD2' ' A' ' 776' ' ' PHE . 39.1 mtm -67.47 -43.4 81.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -54.29 -38.42 65.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.13 -48.83 49.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -51.07 -40.34 58.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 28.5 mttm 53.87 42.42 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 741' ' ' PHE . . . . . 0.433 ' HE1' HG12 ' A' ' 777' ' ' VAL . 5.7 p90 -63.87 179.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -93.73 144.0 27.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.608 0.718 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -6.54 18.84 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.735 2.29 . . . . 0.0 112.32 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -77.32 -39.7 46.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -55.32 142.41 32.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 746' ' ' THR . 0.0 OUTLIER -86.52 157.71 19.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 747' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 2.4 t80 -53.03 -47.64 68.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 34.5 t -50.59 -51.68 46.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.96 -48.61 81.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 750' ' ' PHE . . . . . 0.407 ' CZ ' ' SD ' ' A' ' 736' ' ' MET . 24.1 t80 -54.38 -58.02 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 760' ' ' PHE . . . -51.53 -60.48 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -53.67 -62.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -48.89 -36.88 18.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 754' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 13.3 m-70 -110.25 30.4 6.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.535 ' HA ' ' CE1' ' A' ' 760' ' ' PHE . . . -83.99 -29.27 27.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -70.23 -27.11 64.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 757' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -60.98 106.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 758' ' ' SER . . . . . . . . . . . . . 6.6 p -41.66 -59.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -45.75 -45.78 14.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 754' ' ' HIS . 3.0 t80 -61.08 -42.89 99.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -52.78 -22.08 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -50.3 -40.99 50.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 14.1 mm -88.62 95.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -87.75 -45.84 9.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -53.16 101.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 4.2 ttt -44.84 -48.32 11.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -48.69 -46.63 40.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -35.42 81.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.569 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 37.8 mtm180 -64.0 -52.79 57.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.33 -40.94 94.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -59.31 -59.84 4.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 772' ' ' LEU . . . . . 0.676 HD21 ' HE2' ' A' ' 729' ' ' LYS . 32.0 mt -59.88 -45.59 92.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 773' ' ' PHE . . . . . 0.404 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 13.3 t80 -64.58 -29.78 70.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -65.39 -54.33 30.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.04 -39.94 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 776' ' ' PHE . . . . . 0.419 ' CD2' ' HE3' ' A' ' 736' ' ' MET . 43.3 t80 -55.22 -61.18 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.433 HG12 ' HE1' ' A' ' 741' ' ' PHE . 13.2 m -61.99 -36.78 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -54.84 -37.28 65.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -90.39 -37.99 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 780' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -52.95 -33.46 51.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 781' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 780' ' ' ALA . 29.3 mtp180 -37.49 -57.16 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.6 149.67 26.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 783' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 784' ' ' GLU . 63.7 tttt -70.48 -57.73 4.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 783' ' ' LYS . 20.4 tp10 -35.53 -41.56 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -61.5 109.87 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -130.14 147.72 51.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 35.3 p -39.15 122.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 172.15 -74.07 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -22.66 31.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 65.9 p -91.04 87.91 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 2.6 t -129.01 109.2 11.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.459 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 39.6 m -110.77 134.69 52.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.826 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 77.8 p -84.1 160.46 20.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 713' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 714' ' ' SER . . . -174.63 75.38 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 714' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 713' ' ' GLY . 22.3 t -34.58 139.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 3.2 m -122.66 173.19 7.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -90.48 112.93 4.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -76.23 125.97 30.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -120.81 119.37 32.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -126.0 172.38 9.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -136.76 169.98 16.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -85.15 44.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -106.21 146.82 29.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 723' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 724' ' ' LYS . 22.2 m120 -66.27 -51.36 58.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 724' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 723' ' ' ASN . 26.4 mmtp -34.66 -59.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 35.2 mm -48.98 -47.43 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 16.5 mmt -62.99 -63.94 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -39.83 -57.39 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 728' ' ' ALA . . . . . 0.684 ' HB1' ' HB1' ' A' ' 762' ' ' ALA . . . -58.58 -55.64 32.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -49.84 -34.55 20.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -68.46 -57.77 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 731' ' ' ASP . . . . . 0.44 ' HB3' ' CG ' ' A' ' 759' ' ' ARG . 0.6 OUTLIER -57.8 -27.38 63.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 732' ' ' PHE . . . . . 0.496 ' CG ' HG13 ' A' ' 763' ' ' ILE . 57.3 t80 -76.9 -65.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -49.92 -37.92 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -74.89 -40.75 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 34.7 ttp -59.2 -34.88 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 67.4 mtm -75.95 -51.03 13.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -48.29 -41.62 28.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -76.44 -39.75 52.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -44.91 -30.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp 49.71 46.93 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 741' ' ' PHE . . . . . 0.578 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 7.3 p90 -86.12 173.14 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 742' ' ' ASN . . . . . 0.465 ' ND2' ' HB2' ' A' ' 744' ' ' ARG . 24.3 p-10 -99.93 144.05 27.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.638 0.732 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.85 27.21 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 744' ' ' ARG . . . . . 0.465 ' HB2' ' ND2' ' A' ' 742' ' ' ASN . 30.3 mtp85 -53.4 -35.99 60.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -55.21 175.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 749' ' ' GLU . 15.1 t -118.24 159.47 23.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -50.43 -40.07 49.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.0 t -59.26 -58.53 8.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 749' ' ' GLU . . . . . 0.515 ' H ' HG23 ' A' ' 746' ' ' THR . 7.2 mt-10 -53.9 -46.97 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -57.02 -51.86 67.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.589 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -54.2 -44.41 71.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 752' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' A' ' 755' ' ' ALA . . . -67.82 -35.91 79.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.131 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -56.59 -52.51 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 754' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 58.0 m-70 -106.93 26.78 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -67.53 -15.69 63.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -110.5 17.93 20.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 757' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 758' ' ' SER . 47.6 t0 -105.99 112.96 26.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 758' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 757' ' ' ASP . 4.8 m -36.7 -57.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 759' ' ' ARG . . . . . 0.44 ' CG ' ' HB3' ' A' ' 731' ' ' ASP . 2.2 mpt_? -47.75 -50.16 26.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 751' ' ' ALA . 54.8 t80 -53.91 -39.97 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -60.99 -34.73 75.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 762' ' ' ALA . . . . . 0.684 ' HB1' ' HB1' ' A' ' 728' ' ' ALA . . . -46.06 -24.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.062 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 763' ' ' ILE . . . . . 0.811 HG22 ' HG3' ' A' ' 769' ' ' ARG . 41.2 mm -111.23 88.81 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.16 -36.4 10.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 765' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 766' ' ' MET . 66.6 mttt -53.8 102.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 766' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 765' ' ' LYS . 21.6 ttt -34.56 -69.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 767' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 768' ' ' ASP . 17.8 ptpt -39.06 -43.84 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 768' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 767' ' ' LYS . 10.5 t0 -64.74 -48.76 73.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.811 ' HG3' HG22 ' A' ' 763' ' ' ILE . 48.9 mtp180 -59.53 -54.44 46.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -63.99 -28.04 69.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -74.68 -68.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 772' ' ' LEU . . . . . 0.492 HD13 ' CD2' ' A' ' 732' ' ' PHE . 39.4 mt -47.13 -40.34 15.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 773' ' ' PHE . . . . . 0.611 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 85.2 t80 -69.3 -51.09 40.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -47.18 -50.21 21.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.14 -60.69 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 776' ' ' PHE . . . . . 0.578 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 6.9 t80 -40.11 -60.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.611 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 7.6 m -62.06 -41.91 92.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 778' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -47.24 -33.85 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -92.17 -44.14 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -44.6 -32.09 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 781' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 781' ' ' ARG . 12.1 mtp-105 -37.75 -63.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -72.69 156.86 38.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.39 -39.58 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -88.99 63.05 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.21 157.28 40.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -132.39 126.44 33.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 89.3 p -146.9 135.52 22.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 127.23 150.75 7.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.73 4.19 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.728 2.285 . . . . 0.0 112.299 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 8.6 t 39.72 41.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 14.4 m -112.25 -45.55 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 61.2 p -111.8 42.22 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 99.1 p -71.61 94.51 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 76.17 -60.79 3.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 19.0 m -50.47 104.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.883 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 79.6 p -105.99 105.87 16.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 113.65 149.0 10.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -113.47 98.65 7.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.351 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -83.78 41.2 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.9 168.84 11.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -114.5 167.56 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -58.62 -53.62 56.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.03 95.33 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -133.57 173.29 11.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 724' ' ' LYS . . . . . 0.413 ' HA ' ' CD ' ' A' ' 727' ' ' GLN . 2.3 mptm? -41.59 -45.28 3.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.436 ' CG2' ' HE3' ' A' ' 729' ' ' LYS . 40.9 mt -58.45 -40.18 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 6.9 mmt -67.48 -67.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 727' ' ' GLN . . . . . 0.413 ' CD ' ' HA ' ' A' ' 724' ' ' LYS . 14.3 pt20 -42.41 -50.18 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.917 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 728' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' A' ' 762' ' ' ALA . . . -60.2 -51.4 69.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 729' ' ' LYS . . . . . 0.436 ' HE3' ' CG2' ' A' ' 725' ' ' ILE . 42.3 mttt -53.87 -33.96 57.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.79 -51.0 60.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.47 -26.56 67.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 732' ' ' PHE . . . . . 0.479 ' CD2' HD13 ' A' ' 772' ' ' LEU . 60.4 t80 -73.64 -70.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -43.36 -44.2 5.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -70.89 -35.68 72.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 45.2 ttp -64.81 -36.68 85.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 51.0 mtm -74.34 -39.43 62.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.83 -35.74 81.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 738' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 739' ' ' ALA . 9.3 pt-20 -73.86 -44.53 55.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 739' ' ' ALA . . . . . 0.461 ' N ' ' HG3' ' A' ' 738' ' ' GLU . . . -53.03 -39.87 63.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 27.8 mttp 60.54 38.42 18.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 741' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 5.0 p90 -66.83 174.58 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 742' ' ' ASN . . . . . 0.642 ' OD1' ' HB2' ' A' ' 745' ' ' ALA . 13.7 p30 -91.5 143.92 28.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -28.78 24.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.372 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -59.49 -39.22 83.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 745' ' ' ALA . . . . . 0.642 ' HB2' ' OD1' ' A' ' 742' ' ' ASN . . . -47.71 165.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.563 HG23 ' H ' ' A' ' 749' ' ' GLU . 13.7 t -112.23 144.35 41.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 747' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 8.9 t80 -39.81 -49.65 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.6 t -48.34 -57.21 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 749' ' ' GLU . . . . . 0.563 ' H ' HG23 ' A' ' 746' ' ' THR . 0.0 OUTLIER -52.64 -55.94 18.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -50.21 -45.62 53.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.661 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -55.78 -47.16 77.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -62.03 -38.06 87.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -59.86 4.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -94.5 16.3 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -53.73 -36.68 62.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -100.6 8.58 43.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 757' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 758' ' ' SER . 8.2 t70 -81.19 112.84 18.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 758' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 757' ' ' ASP . 58.0 m -34.39 -64.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -45.33 -51.31 11.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 755' ' ' ALA . 20.1 t80 -54.44 -42.86 71.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -56.57 -32.42 65.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 762' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' A' ' 728' ' ' ALA . . . -47.42 -34.09 6.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 22.5 mm -112.57 98.11 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 764' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 766' ' ' MET . 1.1 tt0 -92.74 -37.07 12.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 765' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 766' ' ' MET . 63.3 mttt -49.65 87.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 766' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 764' ' ' GLU . 21.7 ttt -36.31 -48.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -49.55 -49.56 45.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.3 -41.32 96.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.577 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 50.1 mtm180 -57.57 -55.36 35.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -53.44 -43.75 68.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.28 -58.46 7.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 772' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 732' ' ' PHE . 38.3 mt -53.37 -49.7 66.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.44 -51.86 68.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 774' ' ' ASN . . . . . 0.432 ' O ' HG22 ' A' ' 777' ' ' VAL . 33.6 m-20 -47.07 -55.43 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -55.49 -43.63 75.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -55.26 -56.28 21.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 774' ' ' ASN . 34.8 m -65.77 -34.04 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -55.27 -42.62 73.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 779' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 782' ' ' LYS . . . -87.29 -45.23 10.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -43.14 -39.79 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.079 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -73.81 -33.01 64.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 782' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 779' ' ' ALA . 8.3 tmtm? -50.84 -64.14 0.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 783' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 785' ' ' LYS . 0.1 OUTLIER -110.28 30.8 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.826 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -42.84 -23.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 785' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 783' ' ' LYS . 19.6 tptp -72.54 -56.64 5.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -76.49 83.8 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 91.6 p -59.0 -48.25 82.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 164.69 146.17 4.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.83 3.97 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 2.8 t -45.03 96.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 9.0 m -164.41 165.58 21.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.508 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 48.3 m -93.49 133.99 36.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 712' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 713' ' ' GLY . 22.7 t -97.1 109.2 22.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.88 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 713' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 712' ' ' SER . . . 37.08 -156.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 88.5 p -109.61 145.28 36.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 43.5 t -109.54 150.59 27.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -67.77 138.85 33.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -111.24 176.96 4.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.371 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -83.25 -56.56 3.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -130.41 126.6 37.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.9 -40.81 46.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -53.9 18.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -54.3 111.76 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -77.97 -32.17 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 724' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 725' ' ' ILE . 8.7 tppt? -39.86 -56.39 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 724' ' ' LYS . 40.8 mt -35.64 -50.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 62.0 mtp -64.18 -57.1 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -45.22 -57.67 3.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.31 -65.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -42.98 -40.38 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 730' ' ' GLU . . . . . 0.405 ' C ' ' OE1' ' A' ' 730' ' ' GLU . 0.0 OUTLIER -57.35 -56.87 16.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 731' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 735' ' ' MET . 1.1 m-20 -58.83 -40.61 84.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 732' ' ' PHE . . . . . 0.634 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 21.7 t80 -65.91 -68.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -43.91 -48.27 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -70.1 -38.51 75.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 735' ' ' MET . . . . . 0.634 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 8.7 tmm? -59.66 -44.82 93.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 736' ' ' MET . . . . . 0.437 ' HB3' ' CE2' ' A' ' 776' ' ' PHE . 46.6 mtm -69.78 -46.48 65.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -48.47 -44.6 35.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -68.7 -52.89 26.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -39.02 -44.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 43.5 mttt 55.97 41.8 29.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 741' ' ' PHE . . . . . 0.461 ' HE1' HG12 ' A' ' 777' ' ' VAL . 5.6 p90 -68.9 176.17 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -91.91 143.91 28.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.622 0.725 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -26.46 27.4 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -54.76 -38.88 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -57.26 153.36 12.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 749' ' ' GLU . 11.8 t -94.69 165.82 12.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -60.54 -42.79 97.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 3.9 t -56.08 -54.67 42.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 749' ' ' GLU . . . . . 0.668 ' H ' HG23 ' A' ' 746' ' ' THR . 6.4 mm-40 -55.34 -44.78 76.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -64.18 -37.1 86.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -60.42 -57.34 13.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.75 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 753' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 749' ' ' GLU . 2.7 mmmm -69.91 -40.66 75.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 754' ' ' HIS . . . . . 0.543 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 63.1 m-70 -113.02 31.18 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.565 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -76.26 -52.5 9.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -54.53 -24.36 20.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 757' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 758' ' ' SER . 16.8 t70 -59.99 103.19 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 758' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 757' ' ' ASP . 32.3 t -34.75 -60.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 759' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 762' ' ' ALA . 81.1 mtt180 -43.77 -52.55 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 1.4 t80 -53.43 -44.4 68.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -58.09 -32.34 67.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 762' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 759' ' ' ARG . . . -49.82 -27.58 5.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.07 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 763' ' ' ILE . . . . . 0.422 HG22 ' HG3' ' A' ' 769' ' ' ARG . 27.9 mm -86.08 133.63 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -122.41 -61.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -44.4 111.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 6.5 ttt -50.03 -53.44 26.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -43.1 -42.07 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.07 -47.38 71.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.422 ' HG3' HG22 ' A' ' 763' ' ' ILE . 60.2 mtp180 -54.2 -48.08 71.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -70.78 -60.58 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -46.5 -51.38 15.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 772' ' ' LEU . . . . . 0.546 HD13 ' CD2' ' A' ' 732' ' ' PHE . 34.3 mt -56.39 -58.47 7.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 773' ' ' PHE . . . . . 0.451 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 87.1 t80 -55.54 -63.78 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 774' ' ' ASN . . . . . 0.664 ' O ' HG22 ' A' ' 777' ' ' VAL . 74.4 m-20 -34.98 -65.39 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 775' ' ' GLU . . . . . 0.507 ' O ' ' HB3' ' A' ' 778' ' ' ALA . 13.2 tp10 -47.39 -50.69 21.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 776' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 736' ' ' MET . 15.1 t80 -49.66 -62.63 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 774' ' ' ASN . 26.7 m -56.94 -28.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 778' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 775' ' ' GLU . . . -62.06 -42.11 98.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -87.4 -34.74 18.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -57.81 -46.38 84.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 781' ' ' ARG . . . . . 0.403 ' CG ' ' HB3' ' A' ' 784' ' ' GLU . 10.6 ptm180 -57.98 169.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -99.71 -37.18 9.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -84.17 28.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 784' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 785' ' ' LYS . 3.5 pt-20 -67.76 -2.92 7.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 785' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 784' ' ' GLU . 18.4 tptp -34.32 127.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -123.3 126.63 47.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 40.0 m -94.06 149.34 21.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 62.5 156.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 122.4 9.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.323 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 50.9 m -68.26 -50.43 53.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 1.8 m 54.44 41.85 31.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 711' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 712' ' ' SER . 5.6 m -128.3 123.04 33.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.35 . . . . 0.0 110.904 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 712' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 711' ' ' SER . 25.7 p -37.87 -41.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 52.43 -114.94 3.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 2.2 m -131.34 156.63 45.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 90.3 p -117.29 157.14 26.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 127.98 65.68 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 717' ' ' GLU . . . . . 0.414 ' N ' ' OE1' ' A' ' 717' ' ' GLU . 0.5 OUTLIER -74.2 124.59 26.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 110.917 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -99.75 -56.57 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -95.22 126.01 40.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -102.44 -48.41 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -67.34 -61.06 2.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -81.47 99.67 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -82.35 86.86 6.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 724' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 725' ' ' ILE . 22.8 tptt -118.14 -68.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 725' ' ' ILE . . . . . 0.703 ' H ' HD12 ' A' ' 725' ' ' ILE . 3.5 mp -36.42 -64.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -47.12 -54.56 10.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -39.34 -58.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 728' ' ' ALA . . . . . 0.429 ' CB ' ' HB1' ' A' ' 762' ' ' ALA . . . -54.7 -41.35 70.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -62.73 -36.99 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.53 -57.96 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 731' ' ' ASP . . . . . 0.474 ' HB3' ' CG ' ' A' ' 759' ' ' ARG . 1.1 m-20 -61.05 -25.0 66.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 732' ' ' PHE . . . . . 0.433 ' CG ' HG13 ' A' ' 763' ' ' ILE . 67.3 t80 -77.13 -64.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -51.84 -42.73 62.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -69.41 -39.75 77.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 30.5 ttp -58.36 -48.74 79.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 53.5 mtm -63.02 -44.1 96.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.54 -45.7 63.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.17 -45.25 85.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 739' ' ' ALA . . . . . 0.466 ' O ' ' CG ' ' A' ' 740' ' ' LYS . . . -59.12 -34.11 71.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 740' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 739' ' ' ALA . 18.3 pttp 46.81 40.92 9.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -56.3 175.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -91.75 142.55 26.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.73 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.86 19.58 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -77.63 -33.56 53.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -58.45 153.29 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 746' ' ' THR . . . . . 0.428 HG23 ' HG3' ' A' ' 749' ' ' GLU . 0.1 OUTLIER -95.56 148.44 22.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 747' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 4.0 t80 -44.55 -35.23 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 12.2 t -66.59 -55.47 15.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 749' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 753' ' ' LYS . 34.2 mt-10 -52.49 -35.64 53.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -73.75 -39.4 64.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 751' ' ' ALA . . . . . 0.442 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -61.2 -49.53 76.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 752' ' ' ALA . . . . . 0.589 ' HA ' ' HB2' ' A' ' 755' ' ' ALA . . . -72.28 -47.23 51.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 753' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 749' ' ' GLU . 0.0 OUTLIER -50.49 -39.85 49.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -110.57 17.81 20.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 755' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 752' ' ' ALA . . . -63.54 -8.94 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 -11.89 16.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 757' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 758' ' ' SER . 10.3 t0 -71.3 108.67 4.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 758' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 757' ' ' ASP . 2.1 t -36.77 -59.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 759' ' ' ARG . . . . . 0.474 ' CG ' ' HB3' ' A' ' 731' ' ' ASP . 2.2 mpt_? -46.69 -49.62 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 760' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 751' ' ' ALA . 35.0 t80 -55.39 -41.77 73.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -57.69 -25.2 59.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 762' ' ' ALA . . . . . 0.429 ' HB1' ' CB ' ' A' ' 728' ' ' ALA . . . -61.54 -37.92 85.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 763' ' ' ILE . . . . . 0.433 HG13 ' CG ' ' A' ' 732' ' ' PHE . 19.6 mm -91.82 77.06 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -78.71 -31.59 46.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 765' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 765' ' ' LYS . 0.0 OUTLIER -59.5 89.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 2.6 ttt -39.4 -39.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.97 -54.8 38.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -60.89 -32.37 71.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 769' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 40.0 mtm180 -63.39 -51.32 66.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -65.55 -35.36 80.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -70.98 -62.7 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 46.3 mt -51.98 -40.42 60.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 773' ' ' PHE . . . . . 0.574 ' CE1' HG11 ' A' ' 777' ' ' VAL . 40.1 t80 -71.84 -49.5 37.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -46.38 -43.29 16.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.56 -48.24 49.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -47.37 -56.44 6.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 777' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 778' ' ' ALA . 24.7 m -62.91 -50.6 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 778' ' ' ALA . . . . . 0.621 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -39.05 -42.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -86.35 -42.32 13.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -49.95 -27.62 5.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -94.17 36.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -159.87 159.55 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 1.2 pmtp? -126.7 -30.65 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -111.84 37.05 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -77.93 54.44 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -64.19 -41.32 97.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 2.6 t -46.4 -52.0 13.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 102.86 -164.18 16.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -30.02 23.0 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 22.2 m -126.72 148.57 49.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 32.3 t -96.18 -49.89 5.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 26.3 mm . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.822 0.344 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 36.1 mmt -42.6 -61.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -44.9 -60.87 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -53.69 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -41.28 -40.06 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -63.47 -56.84 12.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 735' ' ' MET . 5.8 m-20 -56.41 -35.45 67.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . 0.402 ' CD2' HD13 ' A' ' 772' ' ' LEU . 18.8 t80 -70.47 -65.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -50.96 -40.14 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -73.45 -44.69 57.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . 0.461 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 38.7 ttp -54.38 -43.52 71.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 55.0 mtm -69.29 -47.17 65.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.01 -36.38 28.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -76.22 -44.42 37.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -55.06 -39.38 69.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt 50.57 45.25 26.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . 0.451 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 4.6 p90 -68.26 173.58 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -90.78 143.94 29.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -20.61 34.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.275 . . . . 0.0 112.361 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -60.69 -37.68 82.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -60.96 160.09 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . 0.672 HG23 ' H ' ' A' ' 749' ' ' GLU . 8.8 t -98.96 154.03 18.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 769' ' ' ARG . 11.6 t80 -52.74 -44.68 66.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.9 t -51.88 -52.94 46.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . 0.672 ' H ' HG23 ' A' ' 746' ' ' THR . 18.0 mm-40 -58.52 -51.99 67.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -52.85 -49.64 65.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.538 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -51.28 -57.28 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.91 94.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -55.79 -41.76 74.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . 0.471 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 71.1 m-70 -114.82 31.11 6.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.565 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -77.14 -41.24 42.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -58.58 -26.01 63.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.1 t70 -61.21 102.91 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 757' ' ' ASP . 23.2 t -34.58 -59.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 12.5 mtm-85 -46.4 -51.94 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 6.7 t80 -51.56 -41.99 61.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -56.38 -34.48 66.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.94 -40.28 13.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . 0.634 HG22 ' HG3' ' A' ' 769' ' ' ARG . 39.4 mm -86.28 94.17 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -96.63 -44.92 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -43.12 100.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 5.8 ttt -41.59 -53.91 3.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -50.69 -44.85 58.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -59.7 -44.33 93.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.634 ' HG3' HG22 ' A' ' 763' ' ' ILE . 37.1 mtp180 -65.04 -52.05 58.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -59.97 -35.94 76.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -70.37 -60.37 2.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . 0.402 HD13 ' CD2' ' A' ' 732' ' ' PHE . 36.0 mt -54.45 -39.93 67.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . 0.497 ' CE2' HG11 ' A' ' 777' ' ' VAL . 80.3 t80 -70.51 -52.67 20.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -47.31 -49.7 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -63.4 -45.29 91.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . 0.451 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 42.3 t80 -55.57 -54.74 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.497 HG11 ' CE2' ' A' ' 773' ' ' PHE . 17.7 m -66.74 -38.45 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -54.41 -37.19 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -89.34 -36.94 15.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -53.25 -46.95 69.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 89.0 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.786 0.327 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 8.0 mmt -54.06 -63.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -43.95 -61.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -51.5 -60.1 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -45.95 -37.62 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -62.3 -50.75 70.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 735' ' ' MET . 0.9 OUTLIER -64.52 -29.03 70.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -74.18 -61.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -50.49 -45.22 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -72.07 -37.51 69.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . 0.483 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 11.2 tmm? -62.59 -32.05 72.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 43.8 mtm -79.01 -43.02 25.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.83 -32.84 74.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 739' ' ' ALA . 12.6 pt-20 -77.52 -49.0 15.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 738' ' ' GLU . . . -53.66 -30.2 42.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt 47.76 47.98 17.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . 0.548 ' CZ ' ' CD1' ' A' ' 776' ' ' PHE . 28.6 p90 -68.93 178.61 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -102.28 144.08 27.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -15.04 37.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -67.52 -24.61 65.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -72.3 147.58 46.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 749' ' ' GLU . 14.7 t -98.84 146.17 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -41.17 -38.84 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 1.6 t -54.88 -54.4 43.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . 0.411 ' H ' HG23 ' A' ' 746' ' ' THR . 9.5 mt-10 -69.78 -52.36 25.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.406 ' CE1' ' CE1' ' A' ' 754' ' ' HIS . 24.0 t80 -48.46 -39.4 22.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.567 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -71.62 -54.61 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -54.6 -28.92 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -85.34 -61.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . 0.406 ' CE1' ' CE1' ' A' ' 750' ' ' PHE . 22.5 m-70 -62.45 -9.5 8.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -59.05 -53.69 55.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -49.17 -21.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 758' ' ' SER . 11.0 t70 -76.76 102.6 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 757' ' ' ASP . 71.6 m -35.24 -61.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -39.2 -51.77 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 760' ' ' PHE . 4.8 t80 -54.59 -49.47 70.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -46.72 -28.71 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.95 -50.32 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 34.7 mm -83.37 94.71 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . 0.421 ' O ' ' NH2' ' A' ' 769' ' ' ARG . 11.1 pt-20 -82.96 -29.45 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -58.51 99.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.7 ttt -50.14 -41.02 48.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -58.58 -47.74 83.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.66 -49.46 77.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.421 ' NH2' ' O ' ' A' ' 764' ' ' GLU . 42.0 mtm180 -49.64 -52.83 27.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -58.54 -38.01 76.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -65.58 -63.02 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 68.9 mt -54.45 -45.65 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -64.36 -43.1 95.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . 0.506 ' O ' HG22 ' A' ' 777' ' ' VAL . 44.6 m-20 -56.99 -56.03 27.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -54.94 -44.45 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . 0.548 ' CD1' ' CZ ' ' A' ' 741' ' ' PHE . 9.5 t80 -56.32 -55.25 35.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 774' ' ' ASN . 33.2 m -64.66 -33.13 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.0 83.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -81.46 -38.74 25.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -48.61 -51.22 29.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.924 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 81.6 mt . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.833 0.349 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 16.8 mmt -55.2 -69.71 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -38.98 -60.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -49.61 -53.43 24.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -56.82 -34.65 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.3 -57.14 14.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.57 -31.75 66.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . 0.573 ' CD1' HG13 ' A' ' 763' ' ' ILE . 34.9 t80 -71.69 -67.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -45.31 -42.34 9.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -73.62 -39.79 64.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 54.0 ttp -60.37 -44.52 95.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 41.9 mtm -67.89 -44.45 76.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.63 -42.35 64.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.6 -51.28 44.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -54.46 -27.97 41.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 739' ' ' ALA . 0.1 OUTLIER 36.51 36.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . 0.55 ' HE1' HG12 ' A' ' 777' ' ' VAL . 6.1 p90 -52.01 -178.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -93.76 144.22 27.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -31.14 21.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -55.99 -35.3 66.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -49.97 179.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . 0.547 HG23 ' H ' ' A' ' 749' ' ' GLU . 6.4 t -129.94 148.17 51.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.11 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -38.74 -51.09 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.6 t -49.29 -56.19 10.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . 0.547 ' H ' HG23 ' A' ' 746' ' ' THR . 28.8 mm-40 -54.58 -54.57 39.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -50.77 -46.93 59.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.639 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -57.52 -45.78 84.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 755' ' ' ALA . . . -68.64 -32.76 72.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -61.03 -46.26 91.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -111.89 16.13 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -55.77 -32.04 63.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -96.43 11.99 32.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 758' ' ' SER . 17.9 t0 -93.18 108.81 20.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 757' ' ' ASP . 4.6 m -36.9 -56.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 71.2 mmt-85 -50.82 -50.67 55.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 751' ' ' ALA . 29.3 t80 -53.81 -35.9 61.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -60.67 -29.86 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -55.2 -17.51 4.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . 0.85 HG22 ' HG3' ' A' ' 769' ' ' ARG . 25.8 mm -115.32 88.98 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -95.53 -39.16 10.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -44.11 98.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 12.3 ttt -43.42 -40.76 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -49.67 74.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.29 -40.21 95.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.85 ' HG3' HG22 ' A' ' 763' ' ' ILE . 41.9 mtp180 -65.57 -49.09 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.432 ' HG2' ' ND2' ' A' ' 774' ' ' ASN . 19.0 tt0 -65.56 -35.87 82.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -72.55 -68.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 40.7 mt -45.62 -39.03 7.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -73.84 -55.59 6.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . 0.432 ' ND2' ' HG2' ' A' ' 770' ' ' GLU . 62.0 m-20 -45.56 -46.17 14.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -66.39 -54.67 21.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -43.81 -54.75 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.55 HG12 ' HE1' ' A' ' 741' ' ' PHE . 25.7 m -64.61 -35.12 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -57.18 -32.43 66.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -93.72 -44.68 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -49.58 -32.73 13.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 780' ' ' ALA . 32.6 mtp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 46.6 mt . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.827 0.346 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 5.7 mmt -55.25 -60.97 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -43.06 -60.4 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -51.34 -61.03 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -45.31 -40.51 7.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -57.68 -59.17 5.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 735' ' ' MET . 60.0 m-20 -50.23 -34.06 21.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -73.16 -65.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -45.74 -43.05 12.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 734' ' ' LYS . 0.0 OUTLIER -74.25 -39.64 62.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . 0.412 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 41.1 ttp -59.56 -46.03 90.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 36.5 mtm -68.69 -41.97 78.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -52.61 -45.01 66.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -69.66 -44.61 70.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -47.93 -34.7 9.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt 41.35 38.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -66.95 -178.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -95.86 144.08 27.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -3.32 11.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.236 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -77.99 -34.11 51.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -58.55 162.46 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 11.6 t -114.57 165.36 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 13.7 t80 -56.51 -35.32 67.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 6.4 t -55.4 -52.72 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -70.02 -55.47 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -44.96 -44.09 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -69.3 -53.75 18.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -52.2 -31.25 30.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -83.7 -63.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -58.95 -16.8 19.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -47.98 -59.81 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -48.93 -24.35 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -71.48 102.9 2.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . . . . . . . . . 46.3 m -38.92 -59.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 45.3 mtt85 -40.94 -51.3 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.67 -47.85 73.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -45.48 -33.1 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -47.36 -47.53 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 16.1 mm -76.55 92.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -83.01 -27.82 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -64.96 96.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 3.1 ttp -48.79 -42.17 34.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -60.12 -46.72 88.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.12 -46.83 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.483 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 60.5 mtm180 -56.07 -53.5 56.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.59 -29.98 66.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -72.87 -55.48 6.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 29.2 mt -63.47 -33.03 74.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . 0.654 ' O ' HG13 ' A' ' 777' ' ' VAL . 23.3 t80 -76.84 -37.14 56.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -62.59 -47.75 82.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 776' ' ' PHE . 12.2 pt-20 -68.73 -46.78 68.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . 0.42 ' N ' ' HG3' ' A' ' 775' ' ' GLU . 23.4 t80 -53.35 -55.65 23.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 773' ' ' PHE . 10.6 m -62.68 -40.95 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -54.06 -35.3 61.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -84.23 -43.56 14.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -48.45 -40.35 25.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.908 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.823 0.344 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -59.8 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -47.23 -51.71 17.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . 0.446 ' HB1' HD13 ' A' ' 763' ' ' ILE . . . -62.49 -52.93 61.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -54.13 -33.16 57.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -66.12 -56.43 11.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 735' ' ' MET . 0.2 OUTLIER -54.83 -30.23 56.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . 0.471 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 43.2 t80 -78.3 -62.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -49.97 -42.43 48.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -73.05 -42.24 63.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . 0.471 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 9.3 tmm? -57.08 -49.37 76.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . 0.521 ' HG2' ' CZ ' ' A' ' 750' ' ' PHE . 42.3 mtm -64.87 -43.29 93.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -51.63 -41.92 61.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -70.2 -45.58 66.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -57.42 -32.54 66.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 739' ' ' ALA . 18.3 ttpt 34.38 36.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 739' ' ' ALA . 4.8 p90 -55.11 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -94.29 144.0 27.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.594 0.711 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -11.65 31.29 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -67.06 -31.5 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -67.38 166.56 14.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 749' ' ' GLU . 14.9 t -105.75 164.59 11.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -55.51 -39.53 70.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 7.3 t -63.69 -47.73 80.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.81 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . 0.676 ' H ' HG23 ' A' ' 746' ' ' THR . 38.5 mm-40 -59.64 -44.92 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.521 ' CZ ' ' HG2' ' A' ' 736' ' ' MET . 21.0 t80 -62.05 -49.62 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.651 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -53.49 -60.27 3.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.095 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.45 34.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -45.8 -45.14 14.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . 0.543 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 10.0 m-70 -114.45 37.17 3.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -86.69 -36.51 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -61.39 -27.27 68.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 758' ' ' SER . 36.9 t70 -60.54 102.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 757' ' ' ASP . 28.4 t -35.13 -59.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.847 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -44.56 -53.49 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 1.3 t80 -52.02 -43.45 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -55.82 -32.77 63.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -42.47 -36.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . 0.617 HG22 ' HG3' ' A' ' 769' ' ' ARG . 44.4 mm -96.55 97.71 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -97.49 -33.33 11.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -48.2 100.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 9.6 ttt -44.62 -44.66 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -59.22 -48.14 82.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -62.01 -42.88 99.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.617 ' HG3' HG22 ' A' ' 763' ' ' ILE . 59.1 mtp180 -63.99 -46.0 86.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -65.31 -43.83 89.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -66.22 -65.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 41.3 mt -47.07 -44.07 20.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -67.58 -54.49 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . 0.454 ' O ' HG22 ' A' ' 777' ' ' VAL . 80.9 m-20 -45.37 -51.89 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 776' ' ' PHE . 10.6 pt-20 -63.1 -39.97 96.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . 0.416 ' N ' ' HG3' ' A' ' 775' ' ' GLU . 62.3 t80 -54.83 -58.4 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 774' ' ' ASN . 34.7 m -59.27 -36.4 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -55.81 -43.4 76.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -83.92 -32.89 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -53.75 -41.07 66.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 75.2 mt . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.841 0.353 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 46.3 mmm -63.41 -63.55 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -46.23 -39.0 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -71.19 -43.52 67.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -61.04 -32.16 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.26 -49.18 24.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -62.95 -24.49 67.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . 0.523 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 35.8 t80 -77.44 -65.6 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 734' ' ' LYS . 8.6 ptpp? -49.66 -39.43 36.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 733' ' ' LYS . 68.6 mttt -73.77 -43.9 57.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . 0.523 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 8.5 tmm? -57.7 -42.18 83.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 52.5 mtm -68.4 -47.62 66.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -50.25 -42.07 51.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -70.64 -45.89 64.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 754' ' ' HIS . . . -46.53 -32.15 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt 55.18 48.95 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . 0.509 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 3.5 p90 -87.62 161.88 17.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -91.53 144.54 29.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -15.12 36.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -62.4 -39.83 94.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -57.63 144.4 37.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 749' ' ' GLU . 8.6 t -82.67 143.14 31.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -38.62 -47.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 43.8 t -52.93 -52.91 56.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . 0.654 ' H ' HG23 ' A' ' 746' ' ' THR . 11.0 mt-10 -58.93 -46.76 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -58.55 -62.15 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.548 ' HB1' HH21 ' A' ' 769' ' ' ARG . . . -41.6 -53.26 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -67.97 -28.84 67.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . 0.406 ' CE ' ' HA ' ' A' ' 753' ' ' LYS . 0.0 OUTLIER -69.55 -37.2 76.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 739' ' ' ALA . 30.6 m-70 -116.76 31.73 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.51 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -75.78 -39.79 56.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -59.9 -29.79 68.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.4 t70 -60.98 101.55 0.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 757' ' ' ASP . 11.8 t -35.5 -61.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -41.88 -53.87 3.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.51 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 5.0 t80 -51.89 -46.42 64.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -51.13 -37.6 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.21 -42.29 6.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . 0.569 HG22 ' HG3' ' A' ' 769' ' ' ARG . 35.0 mm -84.34 96.49 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -99.58 -37.5 9.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -46.46 100.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 13.5 ttt -42.48 -41.7 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -62.23 -47.01 86.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.45 -41.06 96.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.569 ' HG3' HG22 ' A' ' 763' ' ' ILE . 59.2 mtp180 -65.46 -52.14 55.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 774' ' ' ASN . 15.4 tt0 -61.14 -35.01 75.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -75.12 -68.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 47.7 mt -42.8 -42.19 3.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . 0.494 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 66.5 t80 -68.84 -49.6 57.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 770' ' ' GLU . 77.1 m-20 -50.28 -41.03 50.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -67.63 -56.3 9.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -47.72 -56.34 7.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.494 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 25.6 m -61.4 -43.43 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . 0.494 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -48.78 -42.96 37.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -81.86 -41.96 20.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -46.07 -45.22 16.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.923 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.1 mm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.811 0.339 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 9.2 mmt -56.85 -58.51 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.26 -55.32 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -57.25 -61.19 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -43.0 -39.73 2.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.06 -51.81 65.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . 0.449 ' OD1' ' C ' ' A' ' 731' ' ' ASP . 0.2 OUTLIER -57.75 -29.36 64.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . 0.41 ' CD2' HD13 ' A' ' 772' ' ' LEU . 39.0 t80 -75.32 -69.21 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 734' ' ' LYS . 0.0 OUTLIER -46.42 -39.85 11.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 733' ' ' LYS . 34.7 mttp -72.9 -41.67 64.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 26.4 ttp -56.8 -43.09 80.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . 0.441 ' SD ' ' CZ ' ' A' ' 750' ' ' PHE . 52.6 mtm -69.61 -46.23 66.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -48.29 -45.99 35.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -69.02 -46.55 67.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -43.85 -46.0 7.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt 62.93 42.9 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -77.29 176.19 9.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -101.25 143.95 27.6 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -5.88 17.28 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.252 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -77.35 -36.6 53.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -48.58 165.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.27 142.38 37.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -42.8 -49.33 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 1.3 t -48.76 -42.94 37.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.79 -65.31 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.492 ' CE2' ' NE2' ' A' ' 754' ' ' HIS . 28.8 t80 -40.21 -41.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -70.68 -48.61 53.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -52.61 -38.53 60.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -79.92 -62.0 1.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . 0.492 ' NE2' ' CE2' ' A' ' 750' ' ' PHE . 30.1 m-70 -55.02 -21.42 12.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -48.78 -56.97 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -53.83 -29.36 40.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 758' ' ' SER . 19.8 t0 -62.0 102.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 757' ' ' ASP . 15.5 m -34.63 -62.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -40.03 -54.22 2.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 760' ' ' PHE . 4.9 t80 -51.12 -47.95 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -48.41 -22.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -57.04 -38.44 73.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 43.1 mm -86.87 120.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 765' ' ' LYS . 1.6 tt0 -105.84 -58.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 764' ' ' GLU . 12.5 mmtp -36.64 111.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.29 -48.05 71.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -54.54 -34.93 62.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -68.22 -44.27 76.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -60.23 -50.89 71.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -68.67 -37.77 79.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -62.93 -66.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . 0.41 HD13 ' CD2' ' A' ' 732' ' ' PHE . 36.6 mt -49.49 -48.2 48.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -59.35 -41.52 89.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 778' ' ' ALA . 28.2 m-20 -60.58 -42.93 97.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.21 -55.17 20.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -47.33 -63.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 778' ' ' ALA . 11.9 m -55.88 -43.71 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . 0.505 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -48.14 -40.4 23.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -88.17 -35.67 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -52.99 -49.25 66.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.896 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 93.5 mt . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.882 0.372 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 76.9 mtm -56.39 -59.46 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -48.04 -57.12 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -57.19 -63.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -44.11 -38.33 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -61.69 -50.01 74.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.99 -30.23 71.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.813 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . 0.539 ' CD2' HD13 ' A' ' 772' ' ' LEU . 39.9 t80 -71.92 -64.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -47.6 -41.08 21.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -75.86 -37.68 58.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 49.1 ttp -60.65 -34.71 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 54.6 mtm -78.71 -47.69 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.79 -41.64 44.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -76.43 -48.65 18.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -38.47 -42.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp 61.91 43.35 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 5.9 p90 -78.93 177.31 8.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -103.98 143.97 27.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -7.38 20.93 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.706 2.27 . . . . 0.0 112.336 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 58.3 mmt-85 -79.11 -40.05 32.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -49.03 145.59 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 749' ' ' GLU . 7.9 t -86.37 135.54 33.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 7.5 t80 -38.02 -43.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 26.1 t -52.22 -44.91 65.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . 0.526 ' H ' HG23 ' A' ' 746' ' ' THR . 5.9 mt-10 -70.87 -54.49 11.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -50.86 -40.76 57.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -68.02 -50.08 57.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -56.82 -43.06 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -69.16 -55.14 11.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -66.94 -8.05 26.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.529 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -54.78 -61.87 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -45.28 -28.95 0.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.1 t70 -62.93 101.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 757' ' ' ASP . 8.9 t -37.54 -56.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . 0.437 ' HA ' ' NE ' ' A' ' 759' ' ' ARG . 15.8 mmp_? -45.85 -49.38 15.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.529 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 13.1 t80 -55.74 -42.82 75.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -53.21 -17.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -65.52 -37.48 86.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 29.1 mm -90.29 113.75 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 766' ' ' MET . 1.4 tt0 -106.15 -47.13 3.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -39.46 94.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 764' ' ' GLU . 10.6 ttt -42.54 -48.04 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.827 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -53.85 -43.29 69.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -63.22 -40.22 96.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.466 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 49.5 mtt180 -56.73 -55.49 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -65.24 -32.69 74.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.86 -62.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . 0.539 HD13 ' CD2' ' A' ' 732' ' ' PHE . 29.5 mt -54.33 -46.76 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . 0.424 ' O ' HG13 ' A' ' 777' ' ' VAL . 90.4 t80 -62.82 -40.55 97.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -59.34 -42.57 91.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.92 -62.91 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -39.29 -60.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.482 HG23 ' N ' ' A' ' 778' ' ' ALA . 6.9 m -59.42 -43.07 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . 0.482 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -50.27 -40.91 49.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -90.49 -25.36 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' A' ' 777' ' ' VAL . . . -68.74 -35.71 77.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.958 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.81 0.338 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 16.1 mtm -53.47 -54.91 30.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -49.62 -59.3 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.31 -60.76 3.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -45.71 -41.22 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -58.45 -51.76 68.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -58.68 -28.51 65.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . 0.651 ' CD2' HD13 ' A' ' 772' ' ' LEU . 17.0 t80 -76.63 -67.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -44.71 -39.73 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -76.01 -43.27 45.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . 0.442 ' HE2' ' CD1' ' A' ' 732' ' ' PHE . 33.3 ttp -57.4 -42.92 83.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 56.1 mtm -70.48 -45.98 64.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -48.59 -43.89 36.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -73.31 -40.48 64.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -43.97 -43.99 6.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 61.1 mttt 57.23 47.03 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . 0.529 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 5.1 p90 -80.65 173.91 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.14 142.77 25.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -11.89 31.83 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.368 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 42.3 mmt-85 -85.06 0.5 51.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -80.37 166.4 21.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . 0.655 HG23 ' H ' ' A' ' 749' ' ' GLU . 2.3 t -107.91 131.67 54.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -38.5 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 746' ' ' THR . 16.0 m -65.57 -60.17 3.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . 0.655 ' H ' HG23 ' A' ' 746' ' ' THR . 25.8 mm-40 -55.03 -44.25 74.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -59.98 -52.48 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 755' ' ' ALA . . . -51.95 -61.19 2.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -57.15 -54.91 41.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -49.93 -37.81 33.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 66.3 m-70 -113.37 26.41 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.554 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -80.93 -34.69 33.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -69.53 -22.43 63.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.3 t70 -61.37 105.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 757' ' ' ASP . 11.9 t -34.83 -59.62 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -46.02 -53.32 10.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.554 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 2.7 t80 -52.18 -41.66 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -60.11 -36.37 77.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.49 -29.94 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 10.5 mm -88.15 136.74 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -124.18 -59.71 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -39.33 114.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 8.1 ttt -55.69 -51.37 67.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 771' ' ' ALA . 0.9 OUTLIER -48.74 -35.75 14.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.94 -52.18 31.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -52.03 -51.0 60.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.61 -55.65 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 767' ' ' LYS . . . -45.21 -52.38 9.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . 0.651 HD13 ' CD2' ' A' ' 732' ' ' PHE . 35.8 mt -59.39 -58.43 8.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . 0.457 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 91.0 t80 -51.48 -34.53 36.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -61.54 -57.28 12.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -59.46 -37.27 77.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . 0.529 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 41.8 t80 -60.34 -59.83 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.457 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 17.7 m -63.48 -40.85 90.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . 0.439 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -52.36 -40.84 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -82.51 -46.27 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -44.83 -42.6 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.914 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 19.6 mm . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.845 0.355 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . 0.404 ' HA ' ' NZ ' ' A' ' 729' ' ' LYS . 15.1 mtp -48.85 -52.15 25.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -38.54 -56.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.83 90.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . 0.404 ' NZ ' ' HA ' ' A' ' 726' ' ' MET . 5.2 mtmp? -61.6 -29.44 70.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -68.33 -54.54 16.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -60.93 -28.32 68.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . 0.472 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 53.1 t80 -78.04 -61.87 1.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -51.36 -43.33 61.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -71.53 -38.76 71.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . 0.472 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 9.3 tmm? -60.99 -45.72 93.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . 0.441 ' HG2' ' CE1' ' A' ' 750' ' ' PHE . 48.1 mtm -65.7 -43.66 88.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.02 -43.48 73.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -64.28 -50.17 68.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -59.68 -27.55 66.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 739' ' ' ALA . 5.6 ttpt 34.35 51.98 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . 0.579 ' HE1' HG12 ' A' ' 777' ' ' VAL . 4.8 p90 -63.36 -179.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -92.76 144.0 27.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.596 0.713 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -13.37 34.54 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -69.3 -37.93 78.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -60.87 159.0 11.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . 0.449 HG23 ' H ' ' A' ' 749' ' ' GLU . 8.9 t -104.77 149.26 25.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . 0.418 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 3.0 t80 -39.24 -40.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.6 t -56.91 -58.22 9.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 753' ' ' LYS . 37.5 mt-10 -54.22 -41.73 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.441 ' CE1' ' HG2' ' A' ' 736' ' ' MET . 22.8 t80 -63.38 -43.73 96.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.565 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -62.49 -57.49 11.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.8 93.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 749' ' ' GLU . 16.0 mmtp -61.78 -42.75 99.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 34.3 m-70 -108.56 27.93 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -78.59 -33.13 47.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -66.07 -26.98 67.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 758' ' ' SER . 34.3 t70 -64.79 100.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 757' ' ' ASP . 1.9 m -34.91 -61.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 762' ' ' ALA . 49.6 mtt180 -42.16 -54.21 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 751' ' ' ALA . 1.1 t80 -51.66 -45.96 63.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -52.99 -32.61 47.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 759' ' ' ARG . . . -47.45 -35.79 9.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . 0.709 HG22 ' HG3' ' A' ' 769' ' ' ARG . 43.9 mm -88.44 92.7 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.58 -43.21 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -46.09 105.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -42.79 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -57.33 -37.06 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.11 -43.92 55.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.709 ' HG3' HG22 ' A' ' 763' ' ' ILE . 30.2 mtp180 -61.41 -48.41 81.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 774' ' ' ASN . 9.8 tt0 -70.14 -39.38 75.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.97 -61.03 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.52 -46.18 80.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . 0.512 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 76.1 t80 -65.78 -43.15 89.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 770' ' ' GLU . 50.5 m-20 -52.89 -56.16 17.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -60.03 -37.54 80.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -56.15 -61.65 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.579 HG12 ' HE1' ' A' ' 741' ' ' PHE . 18.5 m -61.67 -34.37 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -56.9 -38.4 72.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -88.0 -39.08 14.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -49.97 -38.98 39.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 781' ' ' ARG . 3.9 ptm85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.854 0.359 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -55.77 30.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -52.79 -57.9 8.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -53.9 -55.17 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . 0.467 ' HE2' HD21 ' A' ' 772' ' ' LEU . 67.3 mttt -51.38 -38.58 54.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -61.23 -56.0 25.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . 0.446 ' C ' ' OD1' ' A' ' 731' ' ' ASP . 0.6 OUTLIER -53.97 -31.0 49.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -73.38 -69.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -46.26 -38.55 8.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.19 -40.06 62.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 35.1 ttp -59.42 -41.67 90.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 71.1 mtm -69.97 -48.91 56.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -49.0 -42.9 39.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -68.73 -48.34 64.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -51.58 -45.78 63.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 62.47 43.07 8.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . 0.448 ' HE1' HG12 ' A' ' 777' ' ' VAL . 8.2 p90 -67.93 178.93 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -102.58 144.03 27.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.655 0.741 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -19.42 36.08 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.246 . . . . 0.0 112.357 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 745' ' ' ALA . 0.3 OUTLIER -60.76 -38.0 83.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . 0.467 ' N ' ' HD3' ' A' ' 744' ' ' ARG . . . -60.98 168.11 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . 0.653 HG23 ' H ' ' A' ' 749' ' ' GLU . 6.4 t -108.46 154.64 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 8.8 t80 -52.43 -40.22 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 2.7 t -55.84 -57.89 10.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . 0.653 ' H ' HG23 ' A' ' 746' ' ' THR . 0.0 OUTLIER -58.93 -52.4 65.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -51.23 -53.12 38.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -49.81 -58.43 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -56.64 -42.16 78.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -59.08 -45.51 90.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 31.0 m-70 -108.0 27.89 8.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.512 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -80.31 -27.72 38.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -22.59 57.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -60.61 112.34 1.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . . . . . . . . . 60.1 m -40.91 -57.33 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -48.93 -46.88 43.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.512 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 4.3 t80 -57.64 -39.8 77.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -54.63 -21.73 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.8 89.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . 0.709 HG22 ' HG3' ' A' ' 769' ' ' ARG . 25.2 mm -90.69 79.77 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -82.23 -30.52 30.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.31 93.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -42.31 -47.04 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -51.27 -49.44 61.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.11 -34.93 77.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.709 ' HG3' HG22 ' A' ' 763' ' ' ILE . 53.9 mtm180 -65.73 -51.98 54.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -59.6 -42.23 92.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.56 -60.57 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . 0.467 HD21 ' HE2' ' A' ' 729' ' ' LYS . 95.6 mt -55.32 -50.24 70.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . 0.616 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 64.3 t80 -59.52 -44.05 93.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -51.03 -51.1 56.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -58.63 -54.73 43.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -46.06 -63.04 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.616 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 8.1 m -60.59 -35.58 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -54.16 -35.97 62.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -93.2 -41.63 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -47.97 -33.57 7.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 780' ' ' ALA . 26.2 mtp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 84.8 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.826 0.346 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 69.5 mtm -58.49 -60.79 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -40.72 -58.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -55.1 -62.39 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -43.27 -40.6 3.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -59.57 -58.3 9.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.97 -29.08 26.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . 0.514 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 41.1 t80 -78.7 -66.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -48.23 -39.54 21.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -73.72 -43.81 58.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . 0.514 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 8.4 tmm? -56.94 -48.7 77.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 44.0 mtm -64.89 -43.94 91.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -50.47 -43.75 55.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -68.65 -46.37 69.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -60.35 -33.5 72.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 739' ' ' ALA . 21.9 tttm 34.31 41.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -55.37 -177.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -93.25 143.44 26.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -10.24 28.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.272 . . . . 0.0 112.317 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 745' ' ' ALA . 1.9 ppt_? -65.87 -37.8 87.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' A' ' 744' ' ' ARG . . . -63.37 166.12 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . 0.533 HG23 ' H ' ' A' ' 749' ' ' GLU . 15.4 t -108.63 164.99 11.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 3.1 t80 -55.19 -46.75 75.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 1.4 t -53.17 -59.33 4.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.887 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . 0.533 ' H ' HG23 ' A' ' 746' ' ' THR . 7.7 mm-40 -54.05 -42.23 68.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -61.18 -41.15 96.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.63 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -61.24 -57.14 13.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.31 76.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -53.23 -42.75 66.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . 0.544 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 72.7 m-70 -110.34 25.78 11.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -77.01 -31.17 56.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -73.22 -26.26 61.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 758' ' ' SER . 14.6 t70 -60.32 101.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 757' ' ' ASP . 18.0 m -34.51 -61.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -44.63 -53.35 7.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 754' ' ' HIS . 2.6 t80 -52.03 -43.3 63.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -54.58 -33.4 60.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -41.44 -38.42 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 8.2 mm -91.86 104.42 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.37 -33.38 10.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -56.93 92.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 14.7 ttt -42.38 -43.35 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -52.65 -50.48 63.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -39.7 84.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.57 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 62.8 mtm180 -59.83 -54.44 46.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -57.47 -41.74 81.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -68.63 -66.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 29.9 mt -48.93 -36.68 17.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . 0.495 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 89.2 t80 -74.05 -50.14 21.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -50.52 -44.09 56.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -67.28 -58.49 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -43.51 -64.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.567 HG23 ' N ' ' A' ' 778' ' ' ALA . 20.5 m -50.92 -47.28 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . 0.567 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -47.28 -41.58 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -82.42 -40.41 21.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -47.45 -52.43 17.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.901 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.815 0.341 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.98 -58.28 9.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -46.12 -53.65 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . 0.636 ' HB1' ' HB1' ' A' ' 762' ' ' ALA . . . -57.68 -59.02 5.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -44.9 -42.29 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.14 -55.47 34.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 735' ' ' MET . 21.1 m-20 -52.77 -37.58 59.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . 0.509 ' CD2' HD13 ' A' ' 772' ' ' LEU . 46.2 t80 -69.96 -63.7 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -50.74 -40.38 54.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -75.39 -44.26 45.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 39.9 ttp -58.46 -38.62 77.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 44.6 mtm -71.44 -48.29 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -50.34 -40.25 48.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 739' ' ' ALA . 19.2 mt-10 -78.66 -44.32 24.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 738' ' ' GLU . . . -34.56 -40.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp 61.41 41.51 12.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 4.7 p90 -83.3 172.25 12.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -96.4 143.79 26.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.08 3.89 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.287 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -88.89 -38.42 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -44.24 149.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 749' ' ' GLU . 11.8 t -92.35 139.89 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -43.48 -47.19 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.0 t -48.17 -40.09 22.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . 0.519 ' H ' HG23 ' A' ' 746' ' ' THR . 5.8 mt-10 -75.27 -63.96 1.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.461 ' CE2' ' NE2' ' A' ' 754' ' ' HIS . 17.4 t80 -43.26 -44.51 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -69.24 -51.28 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -54.1 -35.04 61.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -80.33 -63.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 760' ' ' PHE . 27.9 m-70 -52.08 -30.41 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.545 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -40.89 -67.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -41.11 -30.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 758' ' ' SER . 7.4 t0 -70.58 103.37 2.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 757' ' ' ASP . 15.1 m -34.76 -61.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -38.92 -52.83 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 754' ' ' HIS . 18.7 t80 -53.21 -49.75 66.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 762' ' ' ALA . 39.9 mtpt -44.05 -37.59 3.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . 0.636 ' HB1' ' HB1' ' A' ' 728' ' ' ALA . . . -36.87 -42.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.066 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . 0.453 HG22 ' HG3' ' A' ' 769' ' ' ARG . 46.8 mm -82.48 92.87 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -82.55 -54.6 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -46.7 107.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 3.4 ttt -50.71 -51.32 50.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 767' ' ' LYS . 0.0 OUTLIER -46.43 -40.53 12.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.78 -48.17 69.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.453 ' HG3' HG22 ' A' ' 763' ' ' ILE . 48.0 mtp180 -49.08 -55.96 10.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -62.75 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -56.24 -66.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . 0.509 HD13 ' CD2' ' A' ' 732' ' ' PHE . 40.0 mt -45.91 -58.73 3.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . 0.493 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 62.1 t80 -52.83 -61.84 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -39.54 -43.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -69.08 -57.74 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 776' ' ' PHE . 4.6 t80 -44.12 -52.1 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.493 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 28.7 m -67.77 -32.97 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -56.01 -37.63 69.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.162 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -88.18 -42.07 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -57.56 -52.51 65.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 780' ' ' ALA . 12.7 ptm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 55.1 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.817 0.342 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 30.7 mtm -58.99 -62.84 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -44.28 -54.31 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.41 -51.68 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -56.11 -32.26 64.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.72 -55.94 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 732' ' ' PHE . 1.0 OUTLIER -52.46 -38.88 60.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . 0.494 ' CE1' ' NH2' ' A' ' 769' ' ' ARG . 11.5 t80 -70.98 -72.47 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -43.07 -36.36 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -77.66 -47.21 19.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 28.9 ttp -55.65 -38.89 70.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 58.6 mtm -72.62 -51.46 19.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -45.17 -41.69 8.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.61 -43.41 55.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -48.96 -22.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 739' ' ' ALA . 6.1 mtpm? 36.01 49.72 0.62 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 741' ' ' PHE . 4.9 p90 -79.72 163.03 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -83.44 142.34 43.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -16.43 37.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.307 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -67.22 -34.16 76.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -53.15 169.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 36.8 p -110.32 157.0 19.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -54.52 -42.67 71.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 11.1 t -54.84 -56.42 19.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -58.13 6.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -52.04 -44.94 64.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.585 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -55.63 -40.67 72.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' A' ' 755' ' ' ALA . . . -79.21 -23.9 43.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -64.45 -52.55 57.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -105.47 18.24 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -55.38 -37.9 68.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -95.92 20.11 10.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 757' ' ' ASP . 20.5 t0 -100.16 108.51 20.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 757' ' ' ASP . 30.4 t -36.49 -59.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . 0.438 ' CD ' ' HB2' ' A' ' 731' ' ' ASP . 9.5 mmt180 -47.78 -50.28 26.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.645 ' CE2' ' NH2' ' A' ' 769' ' ' ARG . 0.9 OUTLIER -54.39 -40.42 68.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -59.42 -29.16 67.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . 0.501 ' C ' HD13 ' A' ' 763' ' ' ILE . . . -42.7 -32.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . 0.501 HD13 ' C ' ' A' ' 762' ' ' ALA . 6.6 mm -112.62 82.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 765' ' ' LYS . 6.9 pt-20 -78.04 -38.35 44.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 764' ' ' GLU . 27.6 mttm -48.28 94.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -41.42 -54.81 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -50.22 -47.85 54.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -61.52 -34.24 75.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.645 ' NH2' ' CE2' ' A' ' 760' ' ' PHE . 28.3 mtp85 -66.28 -54.78 20.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -54.77 -36.96 65.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -68.45 -66.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 51.3 mt -49.31 -39.68 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . 0.54 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 76.0 t80 -69.62 -47.09 64.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -53.3 -42.51 66.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -68.33 -58.13 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 776' ' ' PHE . 11.0 t80 -44.52 -62.21 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.54 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 16.6 m -55.55 -44.84 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . 0.512 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -51.03 -32.43 21.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.037 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -86.82 -38.4 16.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.05 83.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -179.871 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 31.4 mtp -46.19 -63.07 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -41.64 -55.4 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.67 -58.74 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -47.28 -39.03 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.82 -52.66 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . 0.468 ' HB3' ' CG ' ' A' ' 759' ' ' ARG . 9.3 m-20 -55.18 -32.53 62.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . 0.674 ' CD2' HD13 ' A' ' 772' ' ' LEU . 53.0 t80 -78.58 -65.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . 0.472 ' HD2' ' CG ' ' A' ' 734' ' ' LYS . 0.0 OUTLIER -49.08 -37.93 22.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 733' ' ' LYS . 21.0 mttm -75.12 -41.99 57.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . 0.46 ' CE ' ' CD1' ' A' ' 732' ' ' PHE . 7.7 tmm? -56.49 -38.78 72.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 50.5 mtm -73.56 -51.7 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -44.86 -41.56 7.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -76.48 -40.71 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -50.25 -37.44 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt 53.04 45.86 27.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -75.12 179.69 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -104.1 142.15 24.0 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -12.82 33.8 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -65.37 -40.01 93.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -60.75 144.56 52.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . 0.66 HG23 ' H ' ' A' ' 749' ' ' GLU . 8.8 t -82.64 163.94 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -57.93 -41.96 83.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 43.1 t -57.06 -55.09 39.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . 0.66 ' H ' HG23 ' A' ' 746' ' ' THR . 29.0 mm-40 -58.08 -47.58 82.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.98 -39.27 88.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.792 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -59.58 -58.78 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.054 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.4 66.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -49.87 -41.99 46.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . 0.54 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 14.8 m-70 -117.22 39.57 3.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.792 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -93.44 -30.75 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -70.12 -18.06 63.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 758' ' ' SER . 8.3 t70 -66.02 107.31 1.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 757' ' ' ASP . 35.7 m -35.15 -60.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . 0.468 ' CG ' ' HB3' ' A' ' 731' ' ' ASP . 0.0 OUTLIER -45.37 -52.98 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 755' ' ' ALA . 0.6 OUTLIER -51.88 -42.76 62.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -54.33 -30.96 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -43.41 -44.28 5.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . 0.617 HG22 ' HG3' ' A' ' 769' ' ' ARG . 29.8 mm -79.71 116.09 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -105.62 -60.6 1.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -45.74 121.28 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 7.8 ttt -55.69 -55.97 25.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -40.61 -42.8 1.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -66.49 -50.07 64.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.617 ' HG3' HG22 ' A' ' 763' ' ' ILE . 55.0 mtp180 -50.94 -54.86 20.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -64.39 -40.11 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -57.58 -68.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . 0.674 HD13 ' CD2' ' A' ' 732' ' ' PHE . 44.0 mt -48.2 -55.9 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . 0.472 ' O ' HG22 ' A' ' 777' ' ' VAL . 84.2 t80 -52.25 -42.32 63.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 778' ' ' ALA . 32.9 m-20 -59.27 -42.81 92.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -65.38 -56.25 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 776' ' ' PHE . 4.4 t80 -48.91 -60.56 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 773' ' ' PHE . 17.0 m -57.88 -37.58 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 774' ' ' ASN . . . -53.87 -40.42 66.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -85.6 -49.74 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -45.88 -50.74 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.901 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 73.2 mt . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.865 0.364 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 10.0 mmt -58.38 -51.12 71.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -46.21 -61.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -57.54 -62.51 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . 0.676 ' HE2' HD21 ' A' ' 772' ' ' LEU . 46.8 mttt -43.21 -37.88 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.89 -53.09 59.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 735' ' ' MET . 75.8 m-20 -54.78 -40.27 69.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . 0.558 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 57.1 t80 -70.24 -64.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -48.19 -45.9 34.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -71.54 -39.68 70.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . 0.558 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 9.0 tmm? -58.69 -45.21 89.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . 0.419 ' HE3' ' CD2' ' A' ' 776' ' ' PHE . 39.1 mtm -67.47 -43.4 81.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -54.29 -38.42 65.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.13 -48.83 49.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -51.07 -40.34 58.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 28.5 mttm 53.87 42.42 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . 0.433 ' HE1' HG12 ' A' ' 777' ' ' VAL . 5.7 p90 -63.87 179.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -93.73 144.0 27.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.608 0.718 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -6.54 18.84 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.735 2.29 . . . . 0.0 112.32 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -77.32 -39.7 46.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -55.32 142.41 32.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 746' ' ' THR . 0.0 OUTLIER -86.52 157.71 19.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 2.4 t80 -53.03 -47.64 68.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 34.5 t -50.59 -51.68 46.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.96 -48.61 81.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . 0.407 ' CZ ' ' SD ' ' A' ' 736' ' ' MET . 24.1 t80 -54.38 -58.02 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 760' ' ' PHE . . . -51.53 -60.48 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -53.67 -62.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -48.89 -36.88 18.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 13.3 m-70 -110.25 30.4 6.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.535 ' HA ' ' CE1' ' A' ' 760' ' ' PHE . . . -83.99 -29.27 27.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -70.23 -27.11 64.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -60.98 106.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . . . . . . . . . 6.6 p -41.66 -59.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -45.75 -45.78 14.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 754' ' ' HIS . 3.0 t80 -61.08 -42.89 99.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -52.78 -22.08 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -50.3 -40.99 50.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 14.1 mm -88.62 95.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -87.75 -45.84 9.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -53.16 101.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 4.2 ttt -44.84 -48.32 11.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -48.69 -46.63 40.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -35.42 81.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.569 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 37.8 mtm180 -64.0 -52.79 57.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.33 -40.94 94.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -59.31 -59.84 4.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . 0.676 HD21 ' HE2' ' A' ' 729' ' ' LYS . 32.0 mt -59.88 -45.59 92.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . 0.404 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 13.3 t80 -64.58 -29.78 70.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -65.39 -54.33 30.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.04 -39.94 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . 0.419 ' CD2' ' HE3' ' A' ' 736' ' ' MET . 43.3 t80 -55.22 -61.18 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.433 HG12 ' HE1' ' A' ' 741' ' ' PHE . 13.2 m -61.99 -36.78 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -54.84 -37.28 65.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -90.39 -37.99 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -52.95 -33.46 51.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 780' ' ' ALA . 29.3 mtp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 35.2 mm . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.816 0.341 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 16.5 mmt -62.99 -63.94 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -39.83 -57.39 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . 0.684 ' HB1' ' HB1' ' A' ' 762' ' ' ALA . . . -58.58 -55.64 32.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -49.84 -34.55 20.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -68.46 -57.77 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . 0.44 ' HB3' ' CG ' ' A' ' 759' ' ' ARG . 0.6 OUTLIER -57.8 -27.38 63.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . 0.496 ' CG ' HG13 ' A' ' 763' ' ' ILE . 57.3 t80 -76.9 -65.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -49.92 -37.92 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -74.89 -40.75 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 34.7 ttp -59.2 -34.88 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 67.4 mtm -75.95 -51.03 13.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -48.29 -41.62 28.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -76.44 -39.75 52.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -44.91 -30.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp 49.71 46.93 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . 0.578 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 7.3 p90 -86.12 173.14 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . 0.465 ' ND2' ' HB2' ' A' ' 744' ' ' ARG . 24.3 p-10 -99.93 144.05 27.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.638 0.732 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.85 27.21 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . 0.465 ' HB2' ' ND2' ' A' ' 742' ' ' ASN . 30.3 mtp85 -53.4 -35.99 60.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -55.21 175.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 749' ' ' GLU . 15.1 t -118.24 159.47 23.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -50.43 -40.07 49.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.0 t -59.26 -58.53 8.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . 0.515 ' H ' HG23 ' A' ' 746' ' ' THR . 7.2 mt-10 -53.9 -46.97 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -57.02 -51.86 67.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.589 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -54.2 -44.41 71.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' A' ' 755' ' ' ALA . . . -67.82 -35.91 79.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.131 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -56.59 -52.51 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 58.0 m-70 -106.93 26.78 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -67.53 -15.69 63.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -110.5 17.93 20.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 758' ' ' SER . 47.6 t0 -105.99 112.96 26.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 757' ' ' ASP . 4.8 m -36.7 -57.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . 0.44 ' CG ' ' HB3' ' A' ' 731' ' ' ASP . 2.2 mpt_? -47.75 -50.16 26.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 751' ' ' ALA . 54.8 t80 -53.91 -39.97 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -60.99 -34.73 75.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . 0.684 ' HB1' ' HB1' ' A' ' 728' ' ' ALA . . . -46.06 -24.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.062 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . 0.811 HG22 ' HG3' ' A' ' 769' ' ' ARG . 41.2 mm -111.23 88.81 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.16 -36.4 10.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 766' ' ' MET . 66.6 mttt -53.8 102.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 765' ' ' LYS . 21.6 ttt -34.56 -69.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 768' ' ' ASP . 17.8 ptpt -39.06 -43.84 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 767' ' ' LYS . 10.5 t0 -64.74 -48.76 73.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.811 ' HG3' HG22 ' A' ' 763' ' ' ILE . 48.9 mtp180 -59.53 -54.44 46.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -63.99 -28.04 69.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -74.68 -68.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . 0.492 HD13 ' CD2' ' A' ' 732' ' ' PHE . 39.4 mt -47.13 -40.34 15.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . 0.611 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 85.2 t80 -69.3 -51.09 40.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -47.18 -50.21 21.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.14 -60.69 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . 0.578 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 6.9 t80 -40.11 -60.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.611 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 7.6 m -62.06 -41.91 92.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -47.24 -33.85 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -92.17 -44.14 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -44.6 -32.09 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 781' ' ' ARG . 12.1 mtp-105 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . 0.436 ' CG2' ' HE3' ' A' ' 729' ' ' LYS . 40.9 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.829 0.347 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 6.9 mmt -67.48 -67.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -42.41 -50.18 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' A' ' 762' ' ' ALA . . . -60.2 -51.4 69.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . 0.436 ' HE3' ' CG2' ' A' ' 725' ' ' ILE . 42.3 mttt -53.87 -33.96 57.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.79 -51.0 60.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.47 -26.56 67.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . 0.479 ' CD2' HD13 ' A' ' 772' ' ' LEU . 60.4 t80 -73.64 -70.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -43.36 -44.2 5.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -70.89 -35.68 72.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 45.2 ttp -64.81 -36.68 85.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 51.0 mtm -74.34 -39.43 62.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.83 -35.74 81.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 739' ' ' ALA . 9.3 pt-20 -73.86 -44.53 55.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . 0.461 ' N ' ' HG3' ' A' ' 738' ' ' GLU . . . -53.03 -39.87 63.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 27.8 mttp 60.54 38.42 18.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . 0.427 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 5.0 p90 -66.83 174.58 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . 0.642 ' OD1' ' HB2' ' A' ' 745' ' ' ALA . 13.7 p30 -91.5 143.92 28.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -28.78 24.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.372 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -59.49 -39.22 83.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . 0.642 ' HB2' ' OD1' ' A' ' 742' ' ' ASN . . . -47.71 165.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . 0.563 HG23 ' H ' ' A' ' 749' ' ' GLU . 13.7 t -112.23 144.35 41.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 8.9 t80 -39.81 -49.65 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.6 t -48.34 -57.21 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . 0.563 ' H ' HG23 ' A' ' 746' ' ' THR . 0.0 OUTLIER -52.64 -55.94 18.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -50.21 -45.62 53.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.661 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -55.78 -47.16 77.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -62.03 -38.06 87.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -59.86 4.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -94.5 16.3 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -53.73 -36.68 62.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -100.6 8.58 43.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 758' ' ' SER . 8.2 t70 -81.19 112.84 18.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 757' ' ' ASP . 58.0 m -34.39 -64.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -45.33 -51.31 11.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 755' ' ' ALA . 20.1 t80 -54.44 -42.86 71.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -56.57 -32.42 65.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' A' ' 728' ' ' ALA . . . -47.42 -34.09 6.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 22.5 mm -112.57 98.11 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 766' ' ' MET . 1.1 tt0 -92.74 -37.07 12.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 766' ' ' MET . 63.3 mttt -49.65 87.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 764' ' ' GLU . 21.7 ttt -36.31 -48.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -49.55 -49.56 45.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.3 -41.32 96.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.577 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 50.1 mtm180 -57.57 -55.36 35.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -53.44 -43.75 68.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.28 -58.46 7.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 732' ' ' PHE . 38.3 mt -53.37 -49.7 66.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.44 -51.86 68.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . 0.432 ' O ' HG22 ' A' ' 777' ' ' VAL . 33.6 m-20 -47.07 -55.43 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -55.49 -43.63 75.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -55.26 -56.28 21.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 774' ' ' ASN . 34.8 m -65.77 -34.04 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -55.27 -42.62 73.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -87.29 -45.23 10.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -43.14 -39.79 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.079 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.904 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.853 0.359 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 62.0 mtp -64.18 -57.1 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -45.22 -57.67 3.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.31 -65.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -42.98 -40.38 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . 0.405 ' C ' ' OE1' ' A' ' 730' ' ' GLU . 0.0 OUTLIER -57.35 -56.87 16.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 735' ' ' MET . 1.1 m-20 -58.83 -40.61 84.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . 0.634 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 21.7 t80 -65.91 -68.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -43.91 -48.27 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -70.1 -38.51 75.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . 0.634 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 8.7 tmm? -59.66 -44.82 93.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . 0.437 ' HB3' ' CE2' ' A' ' 776' ' ' PHE . 46.6 mtm -69.78 -46.48 65.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -48.47 -44.6 35.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -68.7 -52.89 26.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -39.02 -44.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 43.5 mttt 55.97 41.8 29.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . 0.461 ' HE1' HG12 ' A' ' 777' ' ' VAL . 5.6 p90 -68.9 176.17 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -91.91 143.91 28.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.622 0.725 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -26.46 27.4 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -54.76 -38.88 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -57.26 153.36 12.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 749' ' ' GLU . 11.8 t -94.69 165.82 12.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -60.54 -42.79 97.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 3.9 t -56.08 -54.67 42.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . 0.668 ' H ' HG23 ' A' ' 746' ' ' THR . 6.4 mm-40 -55.34 -44.78 76.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -64.18 -37.1 86.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -60.42 -57.34 13.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.75 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 749' ' ' GLU . 2.7 mmmm -69.91 -40.66 75.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . 0.543 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 63.1 m-70 -113.02 31.18 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.565 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -76.26 -52.5 9.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -54.53 -24.36 20.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 758' ' ' SER . 16.8 t70 -59.99 103.19 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 757' ' ' ASP . 32.3 t -34.75 -60.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 762' ' ' ALA . 81.1 mtt180 -43.77 -52.55 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 1.4 t80 -53.43 -44.4 68.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -58.09 -32.34 67.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 759' ' ' ARG . . . -49.82 -27.58 5.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.07 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . 0.422 HG22 ' HG3' ' A' ' 769' ' ' ARG . 27.9 mm -86.08 133.63 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -122.41 -61.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -44.4 111.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 6.5 ttt -50.03 -53.44 26.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -43.1 -42.07 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.07 -47.38 71.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.422 ' HG3' HG22 ' A' ' 763' ' ' ILE . 60.2 mtp180 -54.2 -48.08 71.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -70.78 -60.58 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -46.5 -51.38 15.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . 0.546 HD13 ' CD2' ' A' ' 732' ' ' PHE . 34.3 mt -56.39 -58.47 7.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . 0.451 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 87.1 t80 -55.54 -63.78 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . 0.664 ' O ' HG22 ' A' ' 777' ' ' VAL . 74.4 m-20 -34.98 -65.39 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . 0.507 ' O ' ' HB3' ' A' ' 778' ' ' ALA . 13.2 tp10 -47.39 -50.69 21.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 736' ' ' MET . 15.1 t80 -49.66 -62.63 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 774' ' ' ASN . 26.7 m -56.94 -28.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 775' ' ' GLU . . . -62.06 -42.11 98.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -87.4 -34.74 18.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -57.81 -46.38 84.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.927 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.82 0.343 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -47.12 -54.56 10.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -39.34 -58.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 728' ' ' ALA . . . . . 0.429 ' CB ' ' HB1' ' A' ' 762' ' ' ALA . . . -54.7 -41.35 70.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -62.73 -36.99 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.53 -57.96 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 731' ' ' ASP . . . . . 0.474 ' HB3' ' CG ' ' A' ' 759' ' ' ARG . 1.1 m-20 -61.05 -25.0 66.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 732' ' ' PHE . . . . . 0.433 ' CG ' HG13 ' A' ' 763' ' ' ILE . 67.3 t80 -77.13 -64.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -51.84 -42.73 62.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -69.41 -39.75 77.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 30.5 ttp -58.36 -48.74 79.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 53.5 mtm -63.02 -44.1 96.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.54 -45.7 63.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.17 -45.25 85.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 739' ' ' ALA . . . . . 0.466 ' O ' ' CG ' ' A' ' 740' ' ' LYS . . . -59.12 -34.11 71.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 740' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 739' ' ' ALA . 18.3 pttp 46.81 40.92 9.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -56.3 175.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -91.75 142.55 26.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.73 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.86 19.58 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -77.63 -33.56 53.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -58.45 153.29 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 746' ' ' THR . . . . . 0.428 HG23 ' HG3' ' A' ' 749' ' ' GLU . 0.1 OUTLIER -95.56 148.44 22.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 747' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 4.0 t80 -44.55 -35.23 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 12.2 t -66.59 -55.47 15.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 749' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 753' ' ' LYS . 34.2 mt-10 -52.49 -35.64 53.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -73.75 -39.4 64.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 751' ' ' ALA . . . . . 0.442 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -61.2 -49.53 76.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 752' ' ' ALA . . . . . 0.589 ' HA ' ' HB2' ' A' ' 755' ' ' ALA . . . -72.28 -47.23 51.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 753' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 749' ' ' GLU . 0.0 OUTLIER -50.49 -39.85 49.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -110.57 17.81 20.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 755' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 752' ' ' ALA . . . -63.54 -8.94 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 -11.89 16.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 757' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 758' ' ' SER . 10.3 t0 -71.3 108.67 4.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 758' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 757' ' ' ASP . 2.1 t -36.77 -59.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 759' ' ' ARG . . . . . 0.474 ' CG ' ' HB3' ' A' ' 731' ' ' ASP . 2.2 mpt_? -46.69 -49.62 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 760' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 751' ' ' ALA . 35.0 t80 -55.39 -41.77 73.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -57.69 -25.2 59.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 762' ' ' ALA . . . . . 0.429 ' HB1' ' CB ' ' A' ' 728' ' ' ALA . . . -61.54 -37.92 85.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . 0.433 HG13 ' CG ' ' A' ' 732' ' ' PHE . 19.6 mm -91.82 77.06 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -78.71 -31.59 46.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 765' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 765' ' ' LYS . 0.0 OUTLIER -59.5 89.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 2.6 ttt -39.4 -39.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.97 -54.8 38.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -60.89 -32.37 71.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 769' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 40.0 mtm180 -63.39 -51.32 66.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -65.55 -35.36 80.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -70.98 -62.7 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 46.3 mt -51.98 -40.42 60.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 773' ' ' PHE . . . . . 0.574 ' CE1' HG11 ' A' ' 777' ' ' VAL . 40.1 t80 -71.84 -49.5 37.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -46.38 -43.29 16.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.56 -48.24 49.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -47.37 -56.44 6.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 777' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 778' ' ' ALA . 24.7 m -62.91 -50.6 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 778' ' ' ALA . . . . . 0.621 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -39.05 -42.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -86.35 -42.32 13.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -49.95 -27.62 5.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.888 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 28.3 t -96.76 154.05 17.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 16.8 m -150.63 168.85 23.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 149.68 -173.57 29.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 8.4 t -117.34 163.37 16.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.833 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 92.7 p -144.55 110.03 5.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 74.15 93.92 0.13 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -98.36 175.52 6.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -115.59 98.6 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -85.45 155.11 21.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -97.21 168.29 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -80.32 43.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -139.71 160.99 38.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -92.93 42.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -87.34 -52.04 5.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 26.3 mm -53.67 -61.91 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 36.1 mmt -42.6 -61.07 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -44.9 -60.87 1.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -53.69 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -41.28 -40.06 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -63.47 -56.84 12.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 735' ' ' MET . 5.8 m-20 -56.41 -35.45 67.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . 0.402 ' CD2' HD13 ' A' ' 772' ' ' LEU . 18.8 t80 -70.47 -65.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -50.96 -40.14 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -73.45 -44.69 57.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . 0.461 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 38.7 ttp -54.38 -43.52 71.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 55.0 mtm -69.29 -47.17 65.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -50.01 -36.38 28.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -76.22 -44.42 37.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -55.06 -39.38 69.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 29.4 mtpt 50.57 45.25 26.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . 0.451 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 4.6 p90 -68.26 173.58 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -90.78 143.94 29.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.654 0.74 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -20.61 34.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.275 . . . . 0.0 112.361 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -60.69 -37.68 82.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -60.96 160.09 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.672 HG23 ' H ' ' A' ' 749' ' ' GLU . 8.8 t -98.96 154.03 18.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 769' ' ' ARG . 11.6 t80 -52.74 -44.68 66.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.9 t -51.88 -52.94 46.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . 0.672 ' H ' HG23 ' A' ' 746' ' ' THR . 18.0 mm-40 -58.52 -51.99 67.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -52.85 -49.64 65.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.538 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -51.28 -57.28 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.91 94.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -55.79 -41.76 74.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . 0.471 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 71.1 m-70 -114.82 31.11 6.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.565 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -77.14 -41.24 42.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 54.2 tttt -58.58 -26.01 63.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.1 t70 -61.21 102.91 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 757' ' ' ASP . 23.2 t -34.58 -59.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 12.5 mtm-85 -46.4 -51.94 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 6.7 t80 -51.56 -41.99 61.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -56.38 -34.48 66.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -46.94 -40.28 13.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . 0.634 HG22 ' HG3' ' A' ' 769' ' ' ARG . 39.4 mm -86.28 94.17 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -96.63 -44.92 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 44.1 mmtt -43.12 100.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 5.8 ttt -41.59 -53.91 3.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -50.69 -44.85 58.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -59.7 -44.33 93.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.634 ' HG3' HG22 ' A' ' 763' ' ' ILE . 37.1 mtp180 -65.04 -52.05 58.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -59.97 -35.94 76.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -70.37 -60.37 2.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . 0.402 HD13 ' CD2' ' A' ' 732' ' ' PHE . 36.0 mt -54.45 -39.93 67.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . 0.497 ' CE2' HG11 ' A' ' 777' ' ' VAL . 80.3 t80 -70.51 -52.67 20.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -47.31 -49.7 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -63.4 -45.29 91.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . 0.451 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 42.3 t80 -55.57 -54.74 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.497 HG11 ' CE2' ' A' ' 773' ' ' PHE . 17.7 m -66.74 -38.45 81.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.176 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -54.41 -37.19 64.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -89.34 -36.94 15.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -53.25 -46.95 69.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -64.26 -51.86 61.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -144.37 142.24 30.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -104.98 -38.49 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.928 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -83.01 53.37 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -113.52 165.14 12.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -66.34 88.65 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 44.0 t -150.66 135.79 17.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -169.58 64.12 0.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -43.12 2.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.278 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 70.9 m -121.9 146.76 46.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 3.6 t -85.46 -54.2 4.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 3.7 m -125.25 159.91 30.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 97.9 p -156.18 165.39 36.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -122.62 -174.79 14.51 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 3.1 t -142.63 153.29 43.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 19.3 m -61.58 108.48 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 145.53 148.31 4.78 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -99.6 140.7 33.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.772 0.32 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.62 146.21 39.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 10.7 tpp180 -44.51 143.76 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -121.77 -31.4 3.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -49.76 -43.42 48.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 51.2 tttt -69.62 104.72 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 724' ' ' LYS . 66.1 m-20 -60.75 -40.12 91.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 723' ' ' ASN . 14.8 mmtp -37.52 -41.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 89.0 mt -49.68 -57.68 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.142 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 8.0 mmt -54.06 -63.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -43.95 -61.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -51.5 -60.1 3.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -45.95 -37.62 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -62.3 -50.75 70.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . 0.483 ' O ' ' CB ' ' A' ' 735' ' ' MET . 0.9 OUTLIER -64.52 -29.03 70.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -74.18 -61.14 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -50.49 -45.22 56.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 9.3 mtmm -72.07 -37.51 69.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . 0.483 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 11.2 tmm? -62.59 -32.05 72.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 43.8 mtm -79.01 -43.02 25.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -62.83 -32.84 74.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 739' ' ' ALA . 12.6 pt-20 -77.52 -49.0 15.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 738' ' ' GLU . . . -53.66 -30.2 42.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.086 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt 47.76 47.98 17.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . 0.548 ' CZ ' ' CD1' ' A' ' 776' ' ' PHE . 28.6 p90 -68.93 178.61 2.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -102.28 144.08 27.89 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -15.04 37.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -67.52 -24.61 65.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -72.3 147.58 46.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 749' ' ' GLU . 14.7 t -98.84 146.17 26.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -41.17 -38.84 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 1.6 t -54.88 -54.4 43.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . 0.411 ' H ' HG23 ' A' ' 746' ' ' THR . 9.5 mt-10 -69.78 -52.36 25.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.406 ' CE1' ' CE1' ' A' ' 754' ' ' HIS . 24.0 t80 -48.46 -39.4 22.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.567 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -71.62 -54.61 9.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -54.6 -28.92 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -85.34 -61.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . 0.406 ' CE1' ' CE1' ' A' ' 750' ' ' PHE . 22.5 m-70 -62.45 -9.5 8.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -59.05 -53.69 55.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -49.17 -21.86 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 758' ' ' SER . 11.0 t70 -76.76 102.6 6.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 757' ' ' ASP . 71.6 m -35.24 -61.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 37.6 mtt85 -39.2 -51.77 1.95 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.459 ' CD1' ' C ' ' A' ' 760' ' ' PHE . 4.8 t80 -54.59 -49.47 70.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -46.72 -28.71 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.95 -50.32 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 34.7 mm -83.37 94.71 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . 0.421 ' O ' ' NH2' ' A' ' 769' ' ' ARG . 11.1 pt-20 -82.96 -29.45 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -58.51 99.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.7 ttt -50.14 -41.02 48.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -58.58 -47.74 83.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.66 -49.46 77.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.873 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.421 ' NH2' ' O ' ' A' ' 764' ' ' GLU . 42.0 mtm180 -49.64 -52.83 27.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -58.54 -38.01 76.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -65.58 -63.02 1.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 68.9 mt -54.45 -45.65 73.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -64.36 -43.1 95.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . 0.506 ' O ' HG22 ' A' ' 777' ' ' VAL . 44.6 m-20 -56.99 -56.03 27.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -54.94 -44.45 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . 0.548 ' CD1' ' CZ ' ' A' ' 741' ' ' PHE . 9.5 t80 -56.32 -55.25 35.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 774' ' ' ASN . 33.2 m -64.66 -33.13 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.0 83.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -81.46 -38.74 25.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -48.61 -51.22 29.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -64.88 -50.08 67.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 45.0 mmtt -64.83 170.71 3.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 783' ' ' LYS . 1.0 OUTLIER -130.65 -41.91 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -86.46 47.87 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -116.77 91.39 3.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -84.95 130.5 34.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 2.9 t -87.0 105.81 17.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -156.94 147.95 17.03 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.451 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 146.62 60.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.679 2.253 . . . . 0.0 112.333 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 5.2 t -160.95 116.34 2.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 12.9 t -47.07 121.18 3.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.844 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.528 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 83.3 p -102.68 152.97 20.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 5.8 t -139.43 156.14 47.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -68.91 -147.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 50.8 m -110.48 162.16 14.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 3.7 m -119.73 151.47 38.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -155.84 -118.62 0.61 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -123.89 161.91 24.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 0.0 110.936 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.48 152.48 34.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 11.5 mtt-85 -129.01 42.16 3.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 721' ' ' LYS . 9.1 mt-10 -59.23 -46.91 87.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 720' ' ' GLU . 4.7 tmtt? -35.95 -62.34 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . 0.642 ' HB2' HD12 ' A' ' 725' ' ' ILE . 10.5 mmmt -63.36 88.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -53.16 -42.81 66.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -41.84 -47.3 4.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.642 HD12 ' HB2' ' A' ' 722' ' ' LYS . 81.6 mt -60.57 -54.36 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 16.8 mmt -55.2 -69.71 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -38.98 -60.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -49.61 -53.43 24.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -56.82 -34.65 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.3 -57.14 14.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -57.57 -31.75 66.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . 0.573 ' CD1' HG13 ' A' ' 763' ' ' ILE . 34.9 t80 -71.69 -67.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -45.31 -42.34 9.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -73.62 -39.79 64.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 54.0 ttp -60.37 -44.52 95.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 41.9 mtm -67.89 -44.45 76.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -52.63 -42.35 64.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -68.6 -51.28 44.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -54.46 -27.97 41.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 739' ' ' ALA . 0.1 OUTLIER 36.51 36.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . 0.55 ' HE1' HG12 ' A' ' 777' ' ' VAL . 6.1 p90 -52.01 -178.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -93.76 144.22 27.82 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -31.14 21.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -55.99 -35.3 66.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -49.97 179.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.547 HG23 ' H ' ' A' ' 749' ' ' GLU . 6.4 t -129.94 148.17 51.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.11 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -38.74 -51.09 1.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.6 t -49.29 -56.19 10.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . 0.547 ' H ' HG23 ' A' ' 746' ' ' THR . 28.8 mm-40 -54.58 -54.57 39.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -50.77 -46.93 59.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.639 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -57.52 -45.78 84.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.15 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 755' ' ' ALA . . . -68.64 -32.76 72.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -61.03 -46.26 91.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 -111.89 16.13 20.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -55.77 -32.04 63.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -96.43 11.99 32.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 758' ' ' SER . 17.9 t0 -93.18 108.81 20.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 757' ' ' ASP . 4.6 m -36.9 -56.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 71.2 mmt-85 -50.82 -50.67 55.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 751' ' ' ALA . 29.3 t80 -53.81 -35.9 61.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -60.67 -29.86 69.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -55.2 -17.51 4.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . 0.85 HG22 ' HG3' ' A' ' 769' ' ' ARG . 25.8 mm -115.32 88.98 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -95.53 -39.16 10.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -44.11 98.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 12.3 ttt -43.42 -40.76 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.19 -49.67 74.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -62.29 -40.21 95.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.85 ' HG3' HG22 ' A' ' 763' ' ' ILE . 41.9 mtp180 -65.57 -49.09 70.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.432 ' HG2' ' ND2' ' A' ' 774' ' ' ASN . 19.0 tt0 -65.56 -35.87 82.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -72.55 -68.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 40.7 mt -45.62 -39.03 7.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -73.84 -55.59 6.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . 0.432 ' ND2' ' HG2' ' A' ' 770' ' ' GLU . 62.0 m-20 -45.56 -46.17 14.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -66.39 -54.67 21.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -43.81 -54.75 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.55 HG12 ' HE1' ' A' ' 741' ' ' PHE . 25.7 m -64.61 -35.12 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -57.18 -32.43 66.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -93.72 -44.68 8.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -49.58 -32.73 13.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 780' ' ' ALA . 32.6 mtp180 -34.78 -65.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -68.48 159.56 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -109.24 -42.37 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -47.12 -57.19 5.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -103.48 116.03 31.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 787' ' ' SER . 15.0 pt-20 -114.27 -46.69 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 786' ' ' GLU . 95.3 p -73.93 128.43 35.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -128.62 -75.29 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -42.98 2.94 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.656 2.237 . . . . 0.0 112.348 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 36.5 p 42.59 41.5 2.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 93.9 p -113.19 134.99 54.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.491 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 711' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 710' ' ' GLY . 42.1 t -37.47 113.15 0.24 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 84.3 p -45.55 139.85 3.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -98.47 68.18 0.67 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 30.5 t -117.88 130.08 56.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.37 . . . . 0.0 110.851 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 16.6 t -161.47 149.1 14.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -148.57 73.12 0.29 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -131.77 116.72 17.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.802 0.334 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -58.15 128.01 34.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.58 21.92 6.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -62.63 -38.08 88.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -40.53 -47.82 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.47 136.14 33.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -91.6 -43.21 9.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -38.7 -57.37 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 46.6 mt -47.84 -59.94 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 5.7 mmt -55.25 -60.97 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -43.06 -60.4 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -51.34 -61.03 2.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -45.31 -40.51 7.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -57.68 -59.17 5.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' A' ' 735' ' ' MET . 60.0 m-20 -50.23 -34.06 21.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -73.16 -65.37 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 10.2 mtpt -45.74 -43.05 12.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . 0.446 ' HE3' ' N ' ' A' ' 734' ' ' LYS . 0.0 OUTLIER -74.25 -39.64 62.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . 0.412 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 41.1 ttp -59.56 -46.03 90.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 36.5 mtm -68.69 -41.97 78.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -52.61 -45.01 66.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -69.66 -44.61 70.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -47.93 -34.7 9.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt 41.35 38.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -66.95 -178.15 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -95.86 144.08 27.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.607 0.718 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -3.32 11.81 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.236 . . . . 0.0 112.349 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -77.99 -34.11 51.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -58.55 162.46 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 11.6 t -114.57 165.36 12.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 13.7 t80 -56.51 -35.32 67.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 6.4 t -55.4 -52.72 62.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -70.02 -55.47 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -44.96 -44.09 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -69.3 -53.75 18.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -52.2 -31.25 30.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 41.5 mmtt -83.7 -63.15 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -58.95 -16.8 19.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -47.98 -59.81 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -48.93 -24.35 1.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -71.48 102.9 2.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . . . . . . . . . 46.3 m -38.92 -59.14 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 45.3 mtt85 -40.94 -51.3 3.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -54.67 -47.85 73.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -45.48 -33.1 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -47.36 -47.53 26.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 16.1 mm -76.55 92.36 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -83.01 -27.82 30.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 29.1 mttm -64.96 96.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 3.1 ttp -48.79 -42.17 34.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 5.5 mmmm -60.12 -46.72 88.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.12 -46.83 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.483 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 60.5 mtm180 -56.07 -53.5 56.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -58.59 -29.98 66.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -72.87 -55.48 6.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 29.2 mt -63.47 -33.03 74.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . 0.654 ' O ' HG13 ' A' ' 777' ' ' VAL . 23.3 t80 -76.84 -37.14 56.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -62.59 -47.75 82.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 776' ' ' PHE . 12.2 pt-20 -68.73 -46.78 68.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . 0.42 ' N ' ' HG3' ' A' ' 775' ' ' GLU . 23.4 t80 -53.35 -55.65 23.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 773' ' ' PHE . 10.6 m -62.68 -40.95 90.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -54.06 -35.3 61.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -84.23 -43.56 14.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -48.45 -40.35 25.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -77.08 83.69 3.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -146.75 174.77 11.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 11.9 ttpt -122.02 -49.37 2.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.934 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -84.43 64.87 8.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -67.1 104.63 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -110.17 135.91 50.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 47.0 t -144.32 156.82 44.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -77.92 175.99 54.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 86.89 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.332 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 90.0 p -134.78 164.71 26.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 43.8 p -110.0 131.1 55.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 60.2 p -60.7 -21.19 62.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 22.7 p -75.81 173.85 10.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 80.72 146.84 4.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 77.9 p -64.92 -42.5 94.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 68.0 p -53.72 128.99 31.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 152.16 76.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -121.99 43.35 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.357 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.08 79.64 2.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -109.01 161.45 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -127.72 171.12 11.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -120.84 34.08 5.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -97.73 159.52 14.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -76.49 58.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.933 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -114.99 -50.86 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 20.8 mt -63.08 -39.6 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -59.8 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 37.6 tp60 -47.23 -51.71 17.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . 0.446 ' HB1' HD13 ' A' ' 763' ' ' ILE . . . -62.49 -52.93 61.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -54.13 -33.16 57.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -66.12 -56.43 11.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 735' ' ' MET . 0.2 OUTLIER -54.83 -30.23 56.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . 0.471 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 43.2 t80 -78.3 -62.51 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -49.97 -42.43 48.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 74.2 mttt -73.05 -42.24 63.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . 0.471 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 9.3 tmm? -57.08 -49.37 76.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . 0.521 ' HG2' ' CZ ' ' A' ' 750' ' ' PHE . 42.3 mtm -64.87 -43.29 93.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -51.63 -41.92 61.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -70.2 -45.58 66.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -57.42 -32.54 66.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 739' ' ' ALA . 18.3 ttpt 34.38 36.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 739' ' ' ALA . 4.8 p90 -55.11 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -94.29 144.0 27.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.594 0.711 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -11.65 31.29 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.379 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -67.06 -31.5 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -67.38 166.56 14.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.676 HG23 ' H ' ' A' ' 749' ' ' GLU . 14.9 t -105.75 164.59 11.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -55.51 -39.53 70.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 7.3 t -63.69 -47.73 80.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.81 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . 0.676 ' H ' HG23 ' A' ' 746' ' ' THR . 38.5 mm-40 -59.64 -44.92 93.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.521 ' CZ ' ' HG2' ' A' ' 736' ' ' MET . 21.0 t80 -62.05 -49.62 75.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.651 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -53.49 -60.27 3.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.095 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -59.87 -55.45 34.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -45.8 -45.14 14.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . 0.543 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 10.0 m-70 -114.45 37.17 3.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.651 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -86.69 -36.51 18.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -61.39 -27.27 68.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 758' ' ' SER . 36.9 t70 -60.54 102.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 757' ' ' ASP . 28.4 t -35.13 -59.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.847 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -44.56 -53.49 7.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.574 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 1.3 t80 -52.02 -43.45 63.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 38.8 mtmt -55.82 -32.77 63.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -42.47 -36.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . 0.617 HG22 ' HG3' ' A' ' 769' ' ' ARG . 44.4 mm -96.55 97.71 6.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -97.49 -33.33 11.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -48.2 100.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 9.6 ttt -44.62 -44.66 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -59.22 -48.14 82.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -62.01 -42.88 99.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.617 ' HG3' HG22 ' A' ' 763' ' ' ILE . 59.1 mtp180 -63.99 -46.0 86.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -65.31 -43.83 89.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -66.22 -65.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 41.3 mt -47.07 -44.07 20.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -67.58 -54.49 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . 0.454 ' O ' HG22 ' A' ' 777' ' ' VAL . 80.9 m-20 -45.37 -51.89 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 776' ' ' PHE . 10.6 pt-20 -63.1 -39.97 96.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . 0.416 ' N ' ' HG3' ' A' ' 775' ' ' GLU . 62.3 t80 -54.83 -58.4 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 774' ' ' ASN . 34.7 m -59.27 -36.4 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -55.81 -43.4 76.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -83.92 -32.89 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -53.75 -41.07 66.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -77.94 80.63 4.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -148.7 171.78 15.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -113.6 -49.29 2.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 -85.53 52.18 2.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . 0.414 ' C ' ' HD2' ' A' ' 785' ' ' LYS . 2.9 tmmm? -81.37 138.23 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.412 ' N ' ' HD2' ' A' ' 785' ' ' LYS . 13.0 tt0 -127.56 161.82 27.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 91.0 p -92.3 -41.93 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -151.65 83.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 105.33 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 59.0 m -38.86 127.73 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 4.2 m -97.55 91.51 5.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.549 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 11.9 m -144.79 164.46 30.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 94.7 p -106.89 -29.47 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -84.66 106.1 2.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 7.4 t -88.98 125.02 34.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 110.82 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 98.4 p -76.51 122.65 24.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -139.46 59.21 0.59 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -119.36 128.13 53.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 19.1 mmm-85 -79.62 171.42 15.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 719' ' ' ARG . 0.0 OUTLIER -96.56 171.78 8.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . 0.41 ' O ' HD12 ' A' ' 725' ' ' ILE . 4.4 tp10 -95.47 146.76 24.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -82.15 46.37 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -106.37 136.46 46.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 726' ' ' MET . 2.5 t-20 -51.92 -47.62 64.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 723' ' ' ASN . 3.5 ttmm -34.68 -56.61 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.41 HD12 ' O ' ' A' ' 720' ' ' GLU . 75.2 mt -53.95 -42.02 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 723' ' ' ASN . 46.3 mmm -63.41 -63.55 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -46.23 -39.0 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -71.19 -43.52 67.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -61.04 -32.16 71.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.26 -49.18 24.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -62.95 -24.49 67.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.836 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . 0.523 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 35.8 t80 -77.44 -65.6 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 734' ' ' LYS . 8.6 ptpp? -49.66 -39.43 36.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 733' ' ' LYS . 68.6 mttt -73.77 -43.9 57.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . 0.523 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 8.5 tmm? -57.7 -42.18 83.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 52.5 mtm -68.4 -47.62 66.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -50.25 -42.07 51.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -70.64 -45.89 64.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . 0.523 ' HB2' ' CE1' ' A' ' 754' ' ' HIS . . . -46.53 -32.15 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt 55.18 48.95 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . 0.509 ' C ' ' CD1' ' A' ' 741' ' ' PHE . 3.5 p90 -87.62 161.88 17.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -91.53 144.54 29.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -15.12 36.85 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.653 2.235 . . . . 0.0 112.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -62.4 -39.83 94.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -57.63 144.4 37.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.654 HG23 ' H ' ' A' ' 749' ' ' GLU . 8.6 t -82.67 143.14 31.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -38.62 -47.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 43.8 t -52.93 -52.91 56.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . 0.654 ' H ' HG23 ' A' ' 746' ' ' THR . 11.0 mt-10 -58.93 -46.76 87.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -58.55 -62.15 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.548 ' HB1' HH21 ' A' ' 769' ' ' ARG . . . -41.6 -53.26 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.075 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -67.97 -28.84 67.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . 0.406 ' HA ' ' CE ' ' A' ' 753' ' ' LYS . 0.0 OUTLIER -69.55 -37.2 76.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 739' ' ' ALA . 30.6 m-70 -116.76 31.73 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.51 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -75.78 -39.79 56.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.084 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 24.5 mmtp -59.9 -29.79 68.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.4 t70 -60.98 101.55 0.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 757' ' ' ASP . 11.8 t -35.5 -61.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -41.88 -53.87 3.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.51 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 5.0 t80 -51.89 -46.42 64.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -51.13 -37.6 47.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.21 -42.29 6.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . 0.569 HG22 ' HG3' ' A' ' 769' ' ' ARG . 35.0 mm -84.34 96.49 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -99.58 -37.5 9.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 52.5 mttm -46.46 100.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 13.5 ttt -42.48 -41.7 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -62.23 -47.01 86.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -61.45 -41.06 96.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.569 ' HG3' HG22 ' A' ' 763' ' ' ILE . 59.2 mtp180 -65.46 -52.14 55.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.443 ' O ' ' ND2' ' A' ' 774' ' ' ASN . 15.4 tt0 -61.14 -35.01 75.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -75.12 -68.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.073 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 47.7 mt -42.8 -42.19 3.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . 0.494 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 66.5 t80 -68.84 -49.6 57.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 770' ' ' GLU . 77.1 m-20 -50.28 -41.03 50.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -67.63 -56.3 9.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -47.72 -56.34 7.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.494 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 25.6 m -61.4 -43.43 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.149 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . 0.494 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -48.78 -42.96 37.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -81.86 -41.96 20.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -46.07 -45.22 16.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -73.11 176.23 6.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 158.86 18.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -126.52 89.28 2.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -76.03 48.92 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.49 -56.78 3.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -86.8 157.77 19.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 5.0 t -106.79 -54.54 2.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -166.96 -93.11 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 120.75 7.5 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.721 2.28 . . . . 0.0 112.372 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 3.1 m -161.72 117.15 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 9.6 t -67.29 130.89 44.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 2.3 m -102.08 109.45 21.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.865 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 78.4 p -139.89 121.31 15.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -93.44 -138.75 9.05 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 4.4 m -71.67 125.78 27.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.878 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 32.1 t -143.17 146.87 34.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -177.35 144.66 6.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -121.13 109.56 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 718' ' ' ARG . 19.2 ttp-105 -57.3 149.77 19.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -112.64 -46.17 3.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -120.46 131.84 54.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.07 -45.37 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -48.2 151.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 723' ' ' ASN . 6.1 p-10 -79.1 45.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 6.5 tmtt? -89.58 -50.63 5.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 49.1 mm -38.12 -49.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 9.2 mmt -56.85 -58.51 7.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -47.26 -55.32 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -57.25 -61.19 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 28.0 mttm -43.0 -39.73 2.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.06 -51.81 65.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . 0.449 ' C ' ' OD1' ' A' ' 731' ' ' ASP . 0.2 OUTLIER -57.75 -29.36 64.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . 0.41 ' CD2' HD13 ' A' ' 772' ' ' LEU . 39.0 t80 -75.32 -69.21 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 734' ' ' LYS . 0.0 OUTLIER -46.42 -39.85 11.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 733' ' ' LYS . 34.7 mttp -72.9 -41.67 64.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 26.4 ttp -56.8 -43.09 80.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . 0.441 ' SD ' ' CZ ' ' A' ' 750' ' ' PHE . 52.6 mtm -69.61 -46.23 66.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -48.29 -45.99 35.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -69.02 -46.55 67.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -43.85 -46.0 7.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt 62.93 42.9 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -77.29 176.19 9.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -101.25 143.95 27.6 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.604 0.716 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -5.88 17.28 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.252 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -77.35 -36.6 53.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -48.58 165.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.27 142.38 37.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -42.8 -49.33 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 1.3 t -48.76 -42.94 37.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.79 -65.31 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.492 ' CE2' ' NE2' ' A' ' 754' ' ' HIS . 28.8 t80 -40.21 -41.86 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -70.68 -48.61 53.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -52.61 -38.53 60.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 26.7 mtmm -79.92 -62.0 1.82 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . 0.492 ' NE2' ' CE2' ' A' ' 750' ' ' PHE . 30.1 m-70 -55.02 -21.42 12.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -48.78 -56.97 7.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -53.83 -29.36 40.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 758' ' ' SER . 19.8 t0 -62.0 102.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 757' ' ' ASP . 15.5 m -34.63 -62.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -40.03 -54.22 2.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 760' ' ' PHE . 4.9 t80 -51.12 -47.95 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -48.41 -22.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -57.04 -38.44 73.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 43.1 mm -86.87 120.76 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 765' ' ' LYS . 1.6 tt0 -105.84 -58.36 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 764' ' ' GLU . 12.5 mmtp -36.64 111.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -54.29 -48.05 71.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -54.54 -34.93 62.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -68.22 -44.27 76.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -60.23 -50.89 71.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -68.67 -37.77 79.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -62.93 -66.96 0.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . 0.41 HD13 ' CD2' ' A' ' 732' ' ' PHE . 36.6 mt -49.49 -48.2 48.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -59.35 -41.52 89.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 778' ' ' ALA . 28.2 m-20 -60.58 -42.93 97.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.21 -55.17 20.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -47.33 -63.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.505 HG23 ' N ' ' A' ' 778' ' ' ALA . 11.9 m -55.88 -43.71 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . 0.505 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -48.14 -40.4 23.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -88.17 -35.67 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -52.99 -49.25 66.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -58.92 -40.66 85.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 784' ' ' GLU . 48.8 mttp -70.49 -66.8 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 782' ' ' LYS . 47.4 tttt -34.41 -33.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 782' ' ' LYS . 8.9 tt0 -81.99 40.8 0.63 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 784' ' ' GLU . 1.7 mptp? -34.38 -42.3 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.47 115.64 14.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 35.6 t -93.89 141.52 28.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -142.86 146.44 17.28 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 94.32 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.637 2.224 . . . . 0.0 112.345 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 12.2 m -57.96 128.01 34.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 78.9 p -124.1 132.23 53.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.492 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 10.7 m -94.4 42.41 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 94.1 p -130.55 126.65 37.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.853 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 171.95 -136.92 4.04 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 38.4 t -50.83 120.45 4.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.844 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 21.4 t -170.48 155.04 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -136.12 147.12 19.05 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 717' ' ' GLU . 2.2 pm0 -72.28 146.37 47.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.847 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -107.83 38.67 2.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 -78.19 89.4 4.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.77 37.85 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -113.16 -56.18 2.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . 0.453 ' HB2' HD11 ' A' ' 725' ' ' ILE . 20.4 mmtm -71.25 107.47 4.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.71 -44.11 97.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . 0.416 ' HD3' ' C ' ' A' ' 724' ' ' LYS . 0.0 OUTLIER -42.0 -35.5 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.453 HD11 ' HB2' ' A' ' 722' ' ' LYS . 93.5 mt -44.27 -43.75 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 76.9 mtm -56.39 -59.46 4.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -48.04 -57.12 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -57.19 -63.16 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.09 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -44.11 -38.33 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -61.69 -50.01 74.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.99 -30.23 71.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.813 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . 0.539 ' CD2' HD13 ' A' ' 772' ' ' LEU . 39.9 t80 -71.92 -64.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 33.0 mtmt -47.6 -41.08 21.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -75.86 -37.68 58.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 49.1 ttp -60.65 -34.71 74.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 54.6 mtm -78.71 -47.69 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -49.79 -41.64 44.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -76.43 -48.65 18.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -38.47 -42.18 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp 61.91 43.35 9.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 5.9 p90 -78.93 177.31 8.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -103.98 143.97 27.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -7.38 20.93 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.706 2.27 . . . . 0.0 112.336 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 58.3 mmt-85 -79.11 -40.05 32.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -49.03 145.59 3.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.526 HG23 ' H ' ' A' ' 749' ' ' GLU . 7.9 t -86.37 135.54 33.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 7.5 t80 -38.02 -43.3 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 26.1 t -52.22 -44.91 65.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . 0.526 ' H ' HG23 ' A' ' 746' ' ' THR . 5.9 mt-10 -70.87 -54.49 11.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -50.86 -40.76 57.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . . . . . . . . . . . -68.02 -50.08 57.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -56.82 -43.06 80.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -69.16 -55.14 11.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -66.94 -8.05 26.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.529 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -54.78 -61.87 2.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -45.28 -28.95 0.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.1 t70 -62.93 101.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 757' ' ' ASP . 8.9 t -37.54 -56.56 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . 0.437 ' HA ' ' NE ' ' A' ' 759' ' ' ARG . 15.8 mmp_? -45.85 -49.38 15.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.529 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 13.1 t80 -55.74 -42.82 75.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -53.21 -17.38 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -65.52 -37.48 86.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 29.1 mm -90.29 113.75 26.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 766' ' ' MET . 1.4 tt0 -106.15 -47.13 3.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -39.46 94.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 764' ' ' GLU . 10.6 ttt -42.54 -48.04 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.827 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -53.85 -43.29 69.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -63.22 -40.22 96.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.466 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 49.5 mtt180 -56.73 -55.49 33.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -65.24 -32.69 74.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.86 -62.62 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . 0.539 HD13 ' CD2' ' A' ' 732' ' ' PHE . 29.5 mt -54.33 -46.76 72.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . 0.424 ' O ' HG13 ' A' ' 777' ' ' VAL . 90.4 t80 -62.82 -40.55 97.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -59.34 -42.57 91.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.92 -62.91 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -39.29 -60.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.482 HG23 ' N ' ' A' ' 778' ' ' ALA . 6.9 m -59.42 -43.07 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.159 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . 0.482 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -50.27 -40.91 49.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -90.49 -25.36 20.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . 0.438 ' HB3' ' HA ' ' A' ' 777' ' ' VAL . . . -68.74 -35.71 77.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -73.43 -50.38 22.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -149.74 169.63 20.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 785' ' ' LYS . 68.7 mttt -124.26 32.27 5.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 785' ' ' LYS . 12.4 pt-20 -40.44 -26.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 783' ' ' LYS . 6.9 tmtm? -37.51 98.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -72.77 160.57 31.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 70.9 m -92.01 -59.5 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 64.74 81.98 0.11 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.449 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 120.46 7.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.659 2.239 . . . . 0.0 112.315 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 37.4 m -128.75 147.93 50.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 89.3 p -120.78 119.48 32.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 58.1 p -154.0 123.78 6.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 98.3 p -87.36 111.66 21.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -140.5 -55.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 2.7 m -38.41 -61.67 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 87.0 p -48.74 169.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.844 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -145.69 -129.45 2.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.546 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -106.2 112.78 25.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 29.1 ptt85 -111.89 95.16 5.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 25.0 ttp180 -109.35 103.64 12.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -139.23 116.9 11.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.1 -55.45 9.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 19.1 tptp -62.72 151.81 37.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -79.99 89.98 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -122.94 -48.46 2.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 66.5 mt -54.22 -57.65 5.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 16.1 mtm -53.47 -54.91 30.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -49.62 -59.3 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.31 -60.76 3.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -45.71 -41.22 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -58.45 -51.76 68.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -58.68 -28.51 65.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . 0.651 ' CD2' HD13 ' A' ' 772' ' ' LEU . 17.0 t80 -76.63 -67.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -44.71 -39.73 5.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 23.1 mmtt -76.01 -43.27 45.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.94 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . 0.442 ' HE2' ' CD1' ' A' ' 732' ' ' PHE . 33.3 ttp -57.4 -42.92 83.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 56.1 mtm -70.48 -45.98 64.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -48.59 -43.89 36.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -73.31 -40.48 64.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -43.97 -43.99 6.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 61.1 mttt 57.23 47.03 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . 0.529 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 5.1 p90 -80.65 173.91 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -93.14 142.77 25.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.612 0.72 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -11.89 31.83 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 2.271 . . . . 0.0 112.368 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 42.3 mmt-85 -85.06 0.5 51.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -80.37 166.4 21.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.655 HG23 ' H ' ' A' ' 749' ' ' GLU . 2.3 t -107.91 131.67 54.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -38.5 -29.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 746' ' ' THR . 16.0 m -65.57 -60.17 3.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . 0.655 ' H ' HG23 ' A' ' 746' ' ' THR . 25.8 mm-40 -55.03 -44.25 74.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -59.98 -52.48 65.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 755' ' ' ALA . . . -51.95 -61.19 2.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -57.15 -54.91 41.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 27.9 mtpt -49.93 -37.81 33.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 66.3 m-70 -113.37 26.41 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.852 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.554 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -80.93 -34.69 33.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -69.53 -22.43 63.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 758' ' ' SER . 9.3 t70 -61.37 105.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 757' ' ' ASP . 11.9 t -34.83 -59.62 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -46.02 -53.32 10.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.554 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 2.7 t80 -52.18 -41.66 62.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.6 mttt -60.11 -36.37 77.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -44.49 -29.94 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 10.5 mm -88.15 136.74 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -124.18 -59.71 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -39.33 114.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 8.1 ttt -55.69 -51.37 67.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 771' ' ' ALA . 0.9 OUTLIER -48.74 -35.75 14.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.94 -52.18 31.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.881 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . . . . . . . . . 40.1 mtp180 -52.03 -51.0 60.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.61 -55.65 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 767' ' ' LYS . . . -45.21 -52.38 9.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . 0.651 HD13 ' CD2' ' A' ' 732' ' ' PHE . 35.8 mt -59.39 -58.43 8.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . 0.457 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 91.0 t80 -51.48 -34.53 36.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -61.54 -57.28 12.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -59.46 -37.27 77.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . 0.529 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 41.8 t80 -60.34 -59.83 4.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.457 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 17.7 m -63.48 -40.85 90.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . 0.439 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -52.36 -40.84 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -82.51 -46.27 13.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -44.83 -42.6 8.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 9.1 ptt85 -77.63 97.7 5.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -139.59 155.29 47.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -77.25 -48.28 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -36.93 -49.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.65 -55.91 8.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.848 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -130.51 130.06 43.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 23.2 t -84.72 111.93 20.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 111.17 71.63 0.64 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 98.73 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.317 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 3.2 m 56.45 41.73 28.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 67.9 p 38.37 42.15 0.5 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 -179.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 28.7 p -79.74 152.82 29.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 0.0 110.851 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 40.5 m -51.02 154.6 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 94.45 60.39 1.11 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.439 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 97.6 p -151.51 121.6 7.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.342 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 5.2 t -134.45 113.88 12.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -134.16 47.48 0.99 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.419 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -139.17 161.51 37.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.912 0.387 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -67.8 102.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 720' ' ' GLU . 32.7 mmm-85 -74.21 150.79 40.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 719' ' ' ARG . 9.4 pt-20 -37.5 109.72 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -126.89 -50.76 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -109.42 173.63 6.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -64.21 -39.18 93.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -38.75 -51.51 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 19.6 mm -42.42 -68.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . 0.404 ' HA ' ' NZ ' ' A' ' 729' ' ' LYS . 15.1 mtp -48.85 -52.15 25.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.841 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 64.7 tp60 -38.54 -56.16 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.83 90.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . 0.404 ' NZ ' ' HA ' ' A' ' 726' ' ' MET . 5.2 mtmp? -61.6 -29.44 70.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -68.33 -54.54 16.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -60.93 -28.32 68.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . 0.472 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 53.1 t80 -78.04 -61.87 1.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -51.36 -43.33 61.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -71.53 -38.76 71.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . 0.472 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 9.3 tmm? -60.99 -45.72 93.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.828 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . 0.441 ' HG2' ' CE1' ' A' ' 750' ' ' PHE . 48.1 mtm -65.7 -43.66 88.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -55.02 -43.48 73.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -64.28 -50.17 68.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -59.68 -27.55 66.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 739' ' ' ALA . 5.6 ttpt 34.35 51.98 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . 0.579 ' HE1' HG12 ' A' ' 777' ' ' VAL . 4.8 p90 -63.36 -179.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -92.76 144.0 27.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.596 0.713 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -13.37 34.54 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.345 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -69.3 -37.93 78.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -60.87 159.0 11.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.449 HG23 ' H ' ' A' ' 749' ' ' GLU . 8.9 t -104.77 149.26 25.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . 0.418 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 3.0 t80 -39.24 -40.34 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.6 t -56.91 -58.22 9.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . 0.461 ' O ' ' CG ' ' A' ' 753' ' ' LYS . 37.5 mt-10 -54.22 -41.73 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.441 ' CE1' ' HG2' ' A' ' 736' ' ' MET . 22.8 t80 -63.38 -43.73 96.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.565 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -62.49 -57.49 11.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -59.64 -42.8 93.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 749' ' ' GLU . 16.0 mmtp -61.78 -42.75 99.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 34.3 m-70 -108.56 27.93 8.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -78.59 -33.13 47.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -66.07 -26.98 67.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 758' ' ' SER . 34.3 t70 -64.79 100.95 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 757' ' ' ASP . 1.9 m -34.91 -61.38 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 762' ' ' ALA . 49.6 mtt180 -42.16 -54.21 3.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' A' ' 751' ' ' ALA . 1.1 t80 -51.66 -45.96 63.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.819 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -52.99 -32.61 47.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 759' ' ' ARG . . . -47.45 -35.79 9.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . 0.709 HG22 ' HG3' ' A' ' 769' ' ' ARG . 43.9 mm -88.44 92.7 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -92.58 -43.21 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -46.09 105.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.66 -42.79 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -57.33 -37.06 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.11 -43.92 55.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.709 ' HG3' HG22 ' A' ' 763' ' ' ILE . 30.2 mtp180 -61.41 -48.41 81.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 774' ' ' ASN . 9.8 tt0 -70.14 -39.38 75.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -64.97 -61.03 2.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 23.1 mt -56.52 -46.18 80.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . 0.512 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 76.1 t80 -65.78 -43.15 89.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . 0.432 ' CG ' ' O ' ' A' ' 770' ' ' GLU . 50.5 m-20 -52.89 -56.16 17.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -60.03 -37.54 80.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 38.7 t80 -56.15 -61.65 2.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.579 HG12 ' HE1' ' A' ' 741' ' ' PHE . 18.5 m -61.67 -34.37 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -56.9 -38.4 72.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -88.0 -39.08 14.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -49.97 -38.98 39.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 781' ' ' ARG . 3.9 ptm85 -79.08 174.32 11.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -63.9 153.46 36.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 784' ' ' GLU . 30.4 pttt -115.27 -40.65 3.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.445 ' N ' ' HG3' ' A' ' 783' ' ' LYS . 3.1 tp10 -38.01 -42.2 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 786' ' ' GLU . 0.2 OUTLIER -41.1 126.76 2.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 785' ' ' LYS . 15.5 tp10 -35.42 -49.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 786' ' ' GLU . 57.7 m -37.29 -61.33 0.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 787' ' ' SER . . . 37.21 62.59 0.87 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 790' ' ' SER . 54.0 Cg_endo -69.76 -47.64 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.366 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 789' ' ' PRO . 38.8 m 35.81 38.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 8.0 t -166.72 162.39 16.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 57.9 m -53.47 129.36 32.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 75.5 m -42.83 129.25 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -76.71 175.44 53.45 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 99.1 p -160.45 139.3 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 2.6 t -103.2 168.57 9.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.883 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -149.39 -169.84 16.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -83.89 44.31 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 719' ' ' ARG . 10.0 ptp180 -44.23 -36.98 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 718' ' ' ARG . 15.6 ttm180 -128.59 85.26 2.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -85.46 11.76 9.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -95.97 -51.27 4.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -98.55 151.78 20.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -95.76 40.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -80.37 -43.71 20.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.68 -47.93 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -55.77 30.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -52.79 -57.9 8.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -53.9 -55.17 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . 0.467 ' HE2' HD21 ' A' ' 772' ' ' LEU . 67.3 mttt -51.38 -38.58 54.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -61.23 -56.0 25.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . 0.446 ' C ' ' OD1' ' A' ' 731' ' ' ASP . 0.6 OUTLIER -53.97 -31.0 49.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -73.38 -69.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -46.26 -38.55 8.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.19 -40.06 62.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 35.1 ttp -59.42 -41.67 90.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 71.1 mtm -69.97 -48.91 56.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -49.0 -42.9 39.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -68.73 -48.34 64.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -51.58 -45.78 63.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.064 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp 62.47 43.07 8.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . 0.448 ' HE1' HG12 ' A' ' 777' ' ' VAL . 8.2 p90 -67.93 178.93 1.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -102.58 144.03 27.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.655 0.741 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -19.42 36.08 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.246 . . . . 0.0 112.357 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 745' ' ' ALA . 0.3 OUTLIER -60.76 -38.0 83.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . 0.467 ' N ' ' HD3' ' A' ' 744' ' ' ARG . . . -60.98 168.11 2.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.653 HG23 ' H ' ' A' ' 749' ' ' GLU . 6.4 t -108.46 154.64 21.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 8.8 t80 -52.43 -40.22 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 2.7 t -55.84 -57.89 10.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . 0.653 ' H ' HG23 ' A' ' 746' ' ' THR . 0.0 OUTLIER -58.93 -52.4 65.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -51.23 -53.12 38.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -49.81 -58.43 5.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -56.64 -42.16 78.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 16.1 mmtp -59.08 -45.51 90.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 31.0 m-70 -108.0 27.89 8.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.512 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -80.31 -27.72 38.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -22.59 57.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -60.61 112.34 1.96 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . . . . . . . . . 60.1 m -40.91 -57.33 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 40.4 mtp85 -48.93 -46.88 43.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.512 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 4.3 t80 -57.64 -39.8 77.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -54.63 -21.73 11.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.8 89.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . 0.709 HG22 ' HG3' ' A' ' 769' ' ' ARG . 25.2 mm -90.69 79.77 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -82.23 -30.52 30.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.31 93.78 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -42.31 -47.04 4.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm -51.27 -49.44 61.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.11 -34.93 77.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.709 ' HG3' HG22 ' A' ' 763' ' ' ILE . 53.9 mtm180 -65.73 -51.98 54.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -59.6 -42.23 92.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.56 -60.57 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . 0.467 HD21 ' HE2' ' A' ' 729' ' ' LYS . 95.6 mt -55.32 -50.24 70.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . 0.616 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 64.3 t80 -59.52 -44.05 93.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -51.03 -51.1 56.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -58.63 -54.73 43.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -46.06 -63.04 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.616 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 8.1 m -60.59 -35.58 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -54.16 -35.97 62.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -93.2 -41.63 9.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -47.97 -33.57 7.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 780' ' ' ALA . 26.2 mtp180 -35.6 -60.57 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 20.5 ttpt -78.52 155.53 29.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 784' ' ' GLU . 8.8 ttpp -94.42 -46.24 7.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 783' ' ' LYS . 22.1 mt-10 -35.98 -39.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 785' ' ' LYS . 0.0 OUTLIER -56.39 142.06 39.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -88.23 154.99 19.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 3.9 m -137.19 158.69 43.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 88.64 161.33 37.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.462 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -37.35 9.33 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 34.6 p -169.6 158.04 7.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.825 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 24.7 p -168.01 148.87 5.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.454 179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 68.5 p -144.33 136.94 26.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 95.4 p -95.49 42.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 62.85 173.38 2.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 8.3 t -119.81 110.96 17.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 25.3 p -85.67 -46.22 10.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 106.33 95.76 2.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -98.98 114.66 27.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.845 0.355 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -123.18 36.77 4.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -95.43 47.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -83.31 46.69 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 -53.69 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -98.67 164.88 12.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -112.21 -38.97 4.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 725' ' ' ILE . 47.5 mtmt -42.94 -44.57 4.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 724' ' ' LYS . 84.8 mt -37.01 -50.69 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 69.5 mtm -58.49 -60.79 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -40.72 -58.74 1.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -55.1 -62.39 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 38.3 mttp -43.27 -40.6 3.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -59.57 -58.3 9.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.97 -29.08 26.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . 0.514 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 41.1 t80 -78.7 -66.22 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -48.23 -39.54 21.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -73.72 -43.81 58.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . 0.514 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 8.4 tmm? -56.94 -48.7 77.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.836 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 44.0 mtm -64.89 -43.94 91.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -50.47 -43.75 55.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -68.65 -46.37 69.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -60.35 -33.5 72.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 739' ' ' ALA . 21.9 tttm 34.31 41.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 6.3 p90 -55.37 -177.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -93.25 143.44 26.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -10.24 28.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.709 2.272 . . . . 0.0 112.317 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 745' ' ' ALA . 1.9 ppt_? -65.87 -37.8 87.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' A' ' 744' ' ' ARG . . . -63.37 166.12 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.106 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.533 HG23 ' H ' ' A' ' 749' ' ' GLU . 15.4 t -108.63 164.99 11.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 3.1 t80 -55.19 -46.75 75.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 1.4 t -53.17 -59.33 4.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.887 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . 0.533 ' H ' HG23 ' A' ' 746' ' ' THR . 7.7 mm-40 -54.05 -42.23 68.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -61.18 -41.15 96.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.63 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -61.24 -57.14 13.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -61.96 -49.31 76.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -53.23 -42.75 66.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . 0.544 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 72.7 m-70 -110.34 25.78 11.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.63 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -77.01 -31.17 56.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -73.22 -26.26 61.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 758' ' ' SER . 14.6 t70 -60.32 101.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 757' ' ' ASP . 18.0 m -34.51 -61.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -44.63 -53.35 7.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 754' ' ' HIS . 2.6 t80 -52.03 -43.3 63.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -54.58 -33.4 60.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -41.44 -38.42 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 8.2 mm -91.86 104.42 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.159 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.37 -33.38 10.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -56.93 92.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 14.7 ttt -42.38 -43.35 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -52.65 -50.48 63.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.47 -39.7 84.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.57 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 62.8 mtm180 -59.83 -54.44 46.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -57.47 -41.74 81.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -68.63 -66.89 0.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 29.9 mt -48.93 -36.68 17.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . 0.495 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 89.2 t80 -74.05 -50.14 21.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -50.52 -44.09 56.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -67.28 -58.49 4.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -43.51 -64.08 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.567 HG23 ' N ' ' A' ' 778' ' ' ALA . 20.5 m -50.92 -47.28 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . 0.567 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -47.28 -41.58 19.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -82.42 -40.41 21.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -47.45 -52.43 17.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -63.93 166.13 7.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -49.38 158.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -96.99 -36.38 10.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -46.87 -43.81 19.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -60.14 -47.06 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -117.1 85.3 2.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 3.1 m -121.96 157.7 30.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 166.36 146.36 4.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.43 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -175.31 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.262 . . . . 0.0 112.358 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 3.0 t -89.06 129.66 35.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 61.8 p -137.21 154.15 50.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 56.6 m -104.12 149.26 25.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 80.9 p -151.15 113.93 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 168.26 135.33 1.86 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 69.5 m -156.18 137.39 13.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.811 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 65.9 p -115.19 127.6 55.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -177.96 72.97 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -132.85 152.09 51.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 21.7 ttp180 -131.95 92.63 3.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -132.86 42.35 3.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -84.09 39.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -81.31 -52.27 7.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -96.03 175.12 6.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -101.39 -48.22 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -39.72 -48.27 2.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 21.5 mt -40.66 -53.67 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 4.1 mmt -58.98 -58.28 9.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -46.12 -53.65 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . 0.636 ' HB1' ' HB1' ' A' ' 762' ' ' ALA . . . -57.68 -59.02 5.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -44.9 -42.29 7.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -59.14 -55.47 34.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 735' ' ' MET . 21.1 m-20 -52.77 -37.58 59.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . 0.509 ' CD2' HD13 ' A' ' 772' ' ' LEU . 46.2 t80 -69.96 -63.7 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt -50.74 -40.38 54.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.843 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -75.39 -44.26 45.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . 0.489 ' CB ' ' O ' ' A' ' 731' ' ' ASP . 39.9 ttp -58.46 -38.62 77.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 44.6 mtm -71.44 -48.29 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -50.34 -40.25 48.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 739' ' ' ALA . 19.2 mt-10 -78.66 -44.32 24.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 738' ' ' GLU . . . -34.56 -40.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.157 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp 61.41 41.51 12.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . 0.453 ' CD1' ' C ' ' A' ' 741' ' ' PHE . 4.7 p90 -83.3 172.25 12.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -96.4 143.79 26.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 2.08 3.89 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.287 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -88.89 -38.42 14.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -44.24 149.47 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 749' ' ' GLU . 11.8 t -92.35 139.89 30.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -43.48 -47.19 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.0 t -48.17 -40.09 22.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . 0.519 ' H ' HG23 ' A' ' 746' ' ' THR . 5.8 mt-10 -75.27 -63.96 1.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.461 ' CE2' ' NE2' ' A' ' 754' ' ' HIS . 17.4 t80 -43.26 -44.51 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -69.24 -51.28 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -54.1 -35.04 61.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -80.33 -63.69 1.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 760' ' ' PHE . 27.9 m-70 -52.08 -30.41 25.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.836 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.545 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -40.89 -67.04 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -41.11 -30.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 758' ' ' SER . 7.4 t0 -70.58 103.37 2.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 757' ' ' ASP . 15.1 m -34.76 -61.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 54.9 mtm180 -38.92 -52.83 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 754' ' ' HIS . 18.7 t80 -53.21 -49.75 66.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 762' ' ' ALA . 39.9 mtpt -44.05 -37.59 3.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . 0.636 ' HB1' ' HB1' ' A' ' 728' ' ' ALA . . . -36.87 -42.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.066 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . 0.453 HG22 ' HG3' ' A' ' 769' ' ' ARG . 46.8 mm -82.48 92.87 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -82.55 -54.6 5.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -46.7 107.74 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 3.4 ttt -50.71 -51.32 50.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . 0.422 ' C ' ' HD3' ' A' ' 767' ' ' LYS . 0.0 OUTLIER -46.43 -40.53 12.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.78 -48.17 69.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.453 ' HG3' HG22 ' A' ' 763' ' ' ILE . 48.0 mtp180 -49.08 -55.96 10.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -62.75 -43.33 99.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -56.24 -66.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . 0.509 HD13 ' CD2' ' A' ' 732' ' ' PHE . 40.0 mt -45.91 -58.73 3.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . 0.493 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 62.1 t80 -52.83 -61.84 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -39.54 -43.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -69.08 -57.74 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 776' ' ' PHE . 4.6 t80 -44.12 -52.1 7.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.493 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 28.7 m -67.77 -32.97 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -56.01 -37.63 69.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.162 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -88.18 -42.07 12.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -57.56 -52.51 65.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.082 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 780' ' ' ALA . 12.7 ptm180 -35.86 -47.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.84 154.98 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -118.56 22.84 11.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -48.9 -23.15 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.82 141.33 39.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.419 ' HA ' ' C ' ' A' ' 792' ' ' GLY . 6.1 mp0 -120.83 84.28 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 19.5 m -71.17 143.75 50.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -75.38 -65.19 2.13 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -1.97 9.37 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.646 2.231 . . . . 0.0 112.386 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 2.8 m -125.66 152.73 44.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 15.9 t -67.61 126.68 30.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . 0.419 ' C ' ' HA ' ' A' ' 786' ' ' GLU . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 8.3 t -102.54 104.46 14.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.876 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 3.3 m -88.64 153.76 20.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 84.87 -125.72 7.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 3.6 t 44.14 42.1 4.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.839 0.352 . . . . 0.0 110.876 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 79.4 p -128.67 168.26 16.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 162.64 68.46 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.519 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.82 138.04 58.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -57.22 139.4 52.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.33 102.55 6.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -81.63 151.67 27.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -96.13 46.95 1.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . 0.434 ' NZ ' ' HG2' ' A' ' 724' ' ' LYS . 1.9 mmmp? -111.69 121.13 44.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -59.39 -34.87 72.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . 0.434 ' HG2' ' NZ ' ' A' ' 722' ' ' LYS . 0.0 OUTLIER -41.85 -27.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 55.1 mt -58.63 -53.54 45.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 30.7 mtm -58.99 -62.84 1.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -44.28 -54.31 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -58.41 -51.68 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -56.11 -32.26 64.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -65.72 -55.94 14.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 732' ' ' PHE . 1.0 OUTLIER -52.46 -38.88 60.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . 0.494 ' CE1' ' NH2' ' A' ' 769' ' ' ARG . 11.5 t80 -70.98 -72.47 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -43.07 -36.36 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -77.66 -47.21 19.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 28.9 ttp -55.65 -38.89 70.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 58.6 mtm -72.62 -51.46 19.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -45.17 -41.69 8.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.61 -43.41 55.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 740' ' ' LYS . . . -48.96 -22.44 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 739' ' ' ALA . 6.1 mtpm? 36.01 49.72 0.62 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 741' ' ' PHE . 4.9 p90 -79.72 163.03 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -83.44 142.34 43.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.631 0.729 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -16.43 37.47 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.722 2.281 . . . . 0.0 112.307 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -67.22 -34.16 76.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -53.15 169.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . . . . . . . . . 36.8 p -110.32 157.0 19.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.134 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -54.52 -42.67 71.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 11.1 t -54.84 -56.42 19.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.94 -58.13 6.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -52.04 -44.94 64.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.585 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -55.63 -40.67 72.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' A' ' 755' ' ' ALA . . . -79.21 -23.9 43.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 42.6 mttm -64.45 -52.55 57.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -105.47 18.24 22.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -55.38 -37.9 68.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -95.92 20.11 10.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . 0.445 ' C ' ' OD1' ' A' ' 757' ' ' ASP . 20.5 t0 -100.16 108.51 20.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 757' ' ' ASP . 30.4 t -36.49 -59.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . 0.438 ' CD ' ' HB2' ' A' ' 731' ' ' ASP . 9.5 mmt180 -47.78 -50.28 26.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.645 ' CE2' ' NH2' ' A' ' 769' ' ' ARG . 0.9 OUTLIER -54.39 -40.42 68.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 27.5 mtmt -59.42 -29.16 67.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . 0.501 ' C ' HD13 ' A' ' 763' ' ' ILE . . . -42.7 -32.22 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.092 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . 0.501 HD13 ' C ' ' A' ' 762' ' ' ALA . 6.6 mm -112.62 82.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 765' ' ' LYS . 6.9 pt-20 -78.04 -38.35 44.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 764' ' ' GLU . 27.6 mttm -48.28 94.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -41.42 -54.81 2.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 7.7 tppt? -50.22 -47.85 54.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -61.52 -34.24 75.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.645 ' NH2' ' CE2' ' A' ' 760' ' ' PHE . 28.3 mtp85 -66.28 -54.78 20.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -54.77 -36.96 65.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -68.45 -66.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 51.3 mt -49.31 -39.68 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . 0.54 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 76.0 t80 -69.62 -47.09 64.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -53.3 -42.51 66.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -68.33 -58.13 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 776' ' ' PHE . 11.0 t80 -44.52 -62.21 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.54 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 16.6 m -55.55 -44.84 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . 0.512 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -51.03 -32.43 21.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.037 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -86.82 -38.4 16.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.05 83.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -52.45 174.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -52.69 178.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.17 -11.33 8.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -105.01 37.53 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -116.46 -179.31 3.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -112.09 168.1 9.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 80.2 p -122.43 -51.18 1.97 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 128.14 -95.19 0.39 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 88.56 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 39.2 p -91.34 128.22 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 35.0 p -172.8 137.04 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.529 -0.229 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 2.3 t 59.99 42.03 16.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 88.3 p -122.16 126.24 47.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 71.41 166.85 7.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.524 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 19.7 m -112.28 103.27 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.351 . . . . 0.0 110.835 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 2.7 t -165.79 154.97 11.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -86.56 107.92 3.25 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.463 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -124.74 155.6 39.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.826 0.346 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -53.6 176.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -130.4 144.27 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -44.65 166.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 16.2 mtmm -90.66 41.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -121.51 128.5 52.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -70.47 84.34 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -125.98 -49.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.675 ' H ' HD12 ' A' ' 725' ' ' ILE . 5.3 mp -51.47 -55.93 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 31.4 mtp -46.19 -63.07 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -41.64 -55.4 2.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.67 -58.74 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -47.28 -39.03 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.82 -52.66 64.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . 0.468 ' HB3' ' CG ' ' A' ' 759' ' ' ARG . 9.3 m-20 -55.18 -32.53 62.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . 0.674 ' CD2' HD13 ' A' ' 772' ' ' LEU . 53.0 t80 -78.58 -65.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . 0.472 ' HD2' ' CG ' ' A' ' 734' ' ' LYS . 0.0 OUTLIER -49.08 -37.93 22.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 733' ' ' LYS . 21.0 mttm -75.12 -41.99 57.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.906 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . 0.46 ' CE ' ' CD1' ' A' ' 732' ' ' PHE . 7.7 tmm? -56.49 -38.78 72.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 50.5 mtm -73.56 -51.7 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -44.86 -41.56 7.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -76.48 -40.71 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -50.25 -37.44 35.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt 53.04 45.86 27.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -75.12 179.69 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -104.1 142.15 24.0 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -12.82 33.8 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.353 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -65.37 -40.01 93.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -60.75 144.56 52.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.66 HG23 ' H ' ' A' ' 749' ' ' GLU . 8.8 t -82.64 163.94 21.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.177 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -57.93 -41.96 83.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 43.1 t -57.06 -55.09 39.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.825 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . 0.66 ' H ' HG23 ' A' ' 746' ' ' THR . 29.0 mm-40 -58.08 -47.58 82.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -60.98 -39.27 88.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.792 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -59.58 -58.78 7.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.054 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.4 66.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 18.8 mtpt -49.87 -41.99 46.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . 0.54 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 14.8 m-70 -117.22 39.57 3.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.792 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -93.44 -30.75 14.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -70.12 -18.06 63.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.924 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 758' ' ' SER . 8.3 t70 -66.02 107.31 1.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 757' ' ' ASP . 35.7 m -35.15 -60.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . 0.468 ' CG ' ' HB3' ' A' ' 731' ' ' ASP . 0.0 OUTLIER -45.37 -52.98 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.57 ' CE1' ' HA ' ' A' ' 755' ' ' ALA . 0.6 OUTLIER -51.88 -42.76 62.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.879 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -54.33 -30.96 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -43.41 -44.28 5.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . 0.617 HG22 ' HG3' ' A' ' 769' ' ' ARG . 29.8 mm -79.71 116.09 23.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -105.62 -60.6 1.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 50.2 mttt -45.74 121.28 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 7.8 ttt -55.69 -55.97 25.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -40.61 -42.8 1.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -66.49 -50.07 64.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.617 ' HG3' HG22 ' A' ' 763' ' ' ILE . 55.0 mtp180 -50.94 -54.86 20.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -64.39 -40.11 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -57.58 -68.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . 0.674 HD13 ' CD2' ' A' ' 732' ' ' PHE . 44.0 mt -48.2 -55.9 9.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . 0.472 ' O ' HG22 ' A' ' 777' ' ' VAL . 84.2 t80 -52.25 -42.32 63.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 778' ' ' ALA . 32.9 m-20 -59.27 -42.81 92.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -65.38 -56.25 13.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . 0.445 ' C ' ' CD1' ' A' ' 776' ' ' PHE . 4.4 t80 -48.91 -60.56 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 773' ' ' PHE . 17.0 m -57.88 -37.58 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 774' ' ' ASN . . . -53.87 -40.42 66.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -85.6 -49.74 7.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -45.88 -50.74 14.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -54.95 153.44 6.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -60.23 142.02 55.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.82 33.46 5.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.35 -11.69 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.981 0.42 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -43.34 149.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -117.84 -54.51 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 16.6 t -58.24 140.29 53.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . -129.16 83.43 0.33 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 156.06 64.19 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 69.2 p -162.12 165.22 27.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 84.8 p -104.28 170.17 8.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.477 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 4.1 m 51.22 42.13 28.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.928 0.394 . . . . 0.0 110.827 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 39.8 t -87.44 147.36 25.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . -77.39 115.8 4.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 17.9 t -116.3 147.34 41.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.923 0.392 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 1.3 t -103.9 96.69 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 170.21 86.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . 0.434 ' O ' ' NH2' ' A' ' 719' ' ' ARG . 0.0 OUTLIER -62.7 154.65 28.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 110.928 -179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.22 161.12 16.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . 0.434 ' NH2' ' O ' ' A' ' 717' ' ' GLU . 0.0 OUTLIER -69.94 96.7 1.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -106.88 109.35 21.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -127.48 -63.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 723' ' ' ASN . 14.1 tttp -132.99 144.34 50.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 724' ' ' LYS . 8.4 p30 -35.26 -42.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 723' ' ' ASN . 42.6 mtmt -34.67 -66.77 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 724' ' ' LYS . 73.2 mt -36.19 -58.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 10.0 mmt -58.38 -51.12 71.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -46.21 -61.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -57.54 -62.51 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . 0.676 ' HE2' HD21 ' A' ' 772' ' ' LEU . 46.8 mttt -43.21 -37.88 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.89 -53.09 59.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 735' ' ' MET . 75.8 m-20 -54.78 -40.27 69.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . 0.558 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 57.1 t80 -70.24 -64.14 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -48.19 -45.9 34.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -71.54 -39.68 70.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . 0.558 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 9.0 tmm? -58.69 -45.21 89.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . 0.419 ' HE3' ' CD2' ' A' ' 776' ' ' PHE . 39.1 mtm -67.47 -43.4 81.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -54.29 -38.42 65.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.13 -48.83 49.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -51.07 -40.34 58.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 28.5 mttm 53.87 42.42 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . 0.433 ' HE1' HG12 ' A' ' 777' ' ' VAL . 5.7 p90 -63.87 179.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -93.73 144.0 27.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.608 0.718 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -6.54 18.84 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.735 2.29 . . . . 0.0 112.32 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 59.0 mtt180 -77.32 -39.7 46.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -55.32 142.41 32.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.132 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 746' ' ' THR . 0.0 OUTLIER -86.52 157.71 19.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 2.4 t80 -53.03 -47.64 68.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 34.5 t -50.59 -51.68 46.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.96 -48.61 81.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . 0.407 ' CZ ' ' SD ' ' A' ' 736' ' ' MET . 24.1 t80 -54.38 -58.02 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.532 ' HA ' ' CZ ' ' A' ' 760' ' ' PHE . . . -51.53 -60.48 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -53.67 -62.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -48.89 -36.88 18.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 13.3 m-70 -110.25 30.4 6.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.818 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.535 ' HA ' ' CE1' ' A' ' 760' ' ' PHE . . . -83.99 -29.27 27.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -70.23 -27.11 64.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -60.98 106.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . . . . . . . . . 6.6 p -41.66 -59.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -45.75 -45.78 14.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.545 ' CG ' ' O ' ' A' ' 754' ' ' HIS . 3.0 t80 -61.08 -42.89 99.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -52.78 -22.08 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . . . . . . . . . . . -50.3 -40.99 50.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 14.1 mm -88.62 95.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -87.75 -45.84 9.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -53.16 101.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 4.2 ttt -44.84 -48.32 11.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -48.69 -46.63 40.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.12 -35.42 81.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.569 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 37.8 mtm180 -64.0 -52.79 57.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -65.33 -40.94 94.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -59.31 -59.84 4.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . 0.676 HD21 ' HE2' ' A' ' 729' ' ' LYS . 32.0 mt -59.88 -45.59 92.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . 0.404 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 13.3 t80 -64.58 -29.78 70.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -65.39 -54.33 30.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -62.04 -39.94 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . 0.419 ' CD2' ' HE3' ' A' ' 736' ' ' MET . 43.3 t80 -55.22 -61.18 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.433 HG12 ' HE1' ' A' ' 741' ' ' PHE . 13.2 m -61.99 -36.78 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -54.84 -37.28 65.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -90.39 -37.99 13.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 781' ' ' ARG . . . -52.95 -33.46 51.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 780' ' ' ALA . 29.3 mtp180 -37.49 -57.16 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -154.6 149.67 26.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 784' ' ' GLU . 63.7 tttt -70.48 -57.73 4.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 783' ' ' LYS . 20.4 tp10 -35.53 -41.56 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -61.5 109.87 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -130.14 147.72 51.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 35.3 p -39.15 122.19 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 172.15 -74.07 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -22.66 31.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 65.9 p -91.04 87.91 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 2.6 t -129.01 109.2 11.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.459 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 39.6 m -110.77 134.69 52.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 0.0 110.826 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 77.8 p -84.1 160.46 20.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 714' ' ' SER . . . -174.63 75.38 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 713' ' ' GLY . 22.3 t -34.58 139.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 0.0 110.838 -179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 3.2 m -122.66 173.19 7.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -90.48 112.93 4.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -76.23 125.97 30.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.847 0.356 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -120.81 119.37 32.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -126.0 172.38 9.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -136.76 169.98 16.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 4.6 mmpt? -85.15 44.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -106.21 146.82 29.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 724' ' ' LYS . 22.2 m120 -66.27 -51.36 58.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 723' ' ' ASN . 26.4 mmtp -34.66 -59.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . . . . . . . . . 35.2 mm -48.98 -47.43 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 16.5 mmt -62.99 -63.94 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -39.83 -57.39 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . 0.684 ' HB1' ' HB1' ' A' ' 762' ' ' ALA . . . -58.58 -55.64 32.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -49.84 -34.55 20.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -68.46 -57.77 5.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . 0.44 ' HB3' ' CG ' ' A' ' 759' ' ' ARG . 0.6 OUTLIER -57.8 -27.38 63.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . 0.496 ' CG ' HG13 ' A' ' 763' ' ' ILE . 57.3 t80 -76.9 -65.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -49.92 -37.92 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 19.2 mmtt -74.89 -40.75 60.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 34.7 ttp -59.2 -34.88 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 67.4 mtm -75.95 -51.03 13.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -48.29 -41.62 28.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -76.44 -39.75 52.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -44.91 -30.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp 49.71 46.93 23.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . 0.578 ' CZ ' ' CE1' ' A' ' 776' ' ' PHE . 7.3 p90 -86.12 173.14 10.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . 0.465 ' ND2' ' HB2' ' A' ' 744' ' ' ARG . 24.3 p-10 -99.93 144.05 27.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.638 0.732 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.85 27.21 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . 0.465 ' HB2' ' ND2' ' A' ' 742' ' ' ASN . 30.3 mtp85 -53.4 -35.99 60.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -55.21 175.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 749' ' ' GLU . 15.1 t -118.24 159.47 23.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -50.43 -40.07 49.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 4.0 t -59.26 -58.53 8.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . 0.515 ' H ' HG23 ' A' ' 746' ' ' THR . 7.2 mt-10 -53.9 -46.97 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -57.02 -51.86 67.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.589 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -54.2 -44.41 71.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . 0.44 ' HA ' ' HB2' ' A' ' 755' ' ' ALA . . . -67.82 -35.91 79.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.131 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -56.59 -52.51 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 58.0 m-70 -106.93 26.78 9.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.589 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -67.53 -15.69 63.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -110.5 17.93 20.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 758' ' ' SER . 47.6 t0 -105.99 112.96 26.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 757' ' ' ASP . 4.8 m -36.7 -57.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . 0.44 ' CG ' ' HB3' ' A' ' 731' ' ' ASP . 2.2 mpt_? -47.75 -50.16 26.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.56 ' CE1' ' HA ' ' A' ' 751' ' ' ALA . 54.8 t80 -53.91 -39.97 66.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -60.99 -34.73 75.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . 0.684 ' HB1' ' HB1' ' A' ' 728' ' ' ALA . . . -46.06 -24.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.062 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . 0.811 HG22 ' HG3' ' A' ' 769' ' ' ARG . 41.2 mm -111.23 88.81 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.16 -36.4 10.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 766' ' ' MET . 66.6 mttt -53.8 102.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 765' ' ' LYS . 21.6 ttt -34.56 -69.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 768' ' ' ASP . 17.8 ptpt -39.06 -43.84 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 767' ' ' LYS . 10.5 t0 -64.74 -48.76 73.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.811 ' HG3' HG22 ' A' ' 763' ' ' ILE . 48.9 mtp180 -59.53 -54.44 46.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -63.99 -28.04 69.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -74.68 -68.7 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . 0.492 HD13 ' CD2' ' A' ' 732' ' ' PHE . 39.4 mt -47.13 -40.34 15.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . 0.611 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 85.2 t80 -69.3 -51.09 40.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -47.18 -50.21 21.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.14 -60.69 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . 0.578 ' CE1' ' CZ ' ' A' ' 741' ' ' PHE . 6.9 t80 -40.11 -60.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.611 HG11 ' CZ ' ' A' ' 773' ' ' PHE . 7.6 m -62.06 -41.91 92.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -47.24 -33.85 5.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -92.17 -44.14 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -44.6 -32.09 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 781' ' ' ARG . 12.1 mtp-105 -37.75 -63.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -72.69 156.86 38.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.39 -39.58 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -88.99 63.05 6.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.21 157.28 40.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -132.39 126.44 33.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 89.3 p -146.9 135.52 22.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 127.23 150.75 7.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 1.73 4.19 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.728 2.285 . . . . 0.0 112.299 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 8.6 t 39.72 41.9 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 14.4 m -112.25 -45.55 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.821 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 61.2 p -111.8 42.22 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.851 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . . . . . . . . . 99.1 p -71.61 94.51 1.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 76.17 -60.79 3.1 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 19.0 m -50.47 104.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.91 0.386 . . . . 0.0 110.883 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 79.6 p -105.99 105.87 16.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 113.65 149.0 10.17 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.49 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 11.1 mp0 -113.47 98.65 7.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.351 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -83.78 41.2 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.9 168.84 11.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -114.5 167.56 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -58.62 -53.62 56.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.03 95.33 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -133.57 173.29 11.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . 0.413 ' HA ' ' CD ' ' A' ' 727' ' ' GLN . 2.3 mptm? -41.59 -45.28 3.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.436 ' CG2' ' HE3' ' A' ' 729' ' ' LYS . 40.9 mt -58.45 -40.18 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 6.9 mmt -67.48 -67.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . 0.413 ' CD ' ' HA ' ' A' ' 724' ' ' LYS . 14.3 pt20 -42.41 -50.18 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.917 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' A' ' 762' ' ' ALA . . . -60.2 -51.4 69.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . 0.436 ' HE3' ' CG2' ' A' ' 725' ' ' ILE . 42.3 mttt -53.87 -33.96 57.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.79 -51.0 60.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.47 -26.56 67.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . 0.479 ' CD2' HD13 ' A' ' 772' ' ' LEU . 60.4 t80 -73.64 -70.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -43.36 -44.2 5.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 29.5 mmtt -70.89 -35.68 72.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 45.2 ttp -64.81 -36.68 85.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 51.0 mtm -74.34 -39.43 62.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -63.83 -35.74 81.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 739' ' ' ALA . 9.3 pt-20 -73.86 -44.53 55.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . 0.461 ' N ' ' HG3' ' A' ' 738' ' ' GLU . . . -53.03 -39.87 63.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 27.8 mttp 60.54 38.42 18.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . 0.427 ' C ' ' CD1' ' A' ' 741' ' ' PHE . 5.0 p90 -66.83 174.58 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.909 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . 0.642 ' OD1' ' HB2' ' A' ' 745' ' ' ALA . 13.7 p30 -91.5 143.92 28.83 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -28.78 24.87 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.372 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -59.49 -39.22 83.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . 0.642 ' HB2' ' OD1' ' A' ' 742' ' ' ASN . . . -47.71 165.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.563 HG23 ' H ' ' A' ' 749' ' ' GLU . 13.7 t -112.23 144.35 41.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . 0.577 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 8.9 t80 -39.81 -49.65 2.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 8.6 t -48.34 -57.21 6.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . 0.563 ' H ' HG23 ' A' ' 746' ' ' THR . 0.0 OUTLIER -52.64 -55.94 18.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -50.21 -45.62 53.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.661 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -55.78 -47.16 77.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -62.03 -38.06 87.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -59.86 4.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -94.5 16.3 15.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.661 ' HB2' ' O ' ' A' ' 751' ' ' ALA . . . -53.73 -36.68 62.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 14.4 pttp -100.6 8.58 43.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 758' ' ' SER . 8.2 t70 -81.19 112.84 18.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 757' ' ' ASP . 58.0 m -34.39 -64.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . . . . . . . . . 54.4 mtt85 -45.33 -51.31 11.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 755' ' ' ALA . 20.1 t80 -54.44 -42.86 71.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -56.57 -32.42 65.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . 0.604 ' HB1' ' HB1' ' A' ' 728' ' ' ALA . . . -47.42 -34.09 6.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 22.5 mm -112.57 98.11 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 766' ' ' MET . 1.1 tt0 -92.74 -37.07 12.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 766' ' ' MET . 63.3 mttt -49.65 87.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 764' ' ' GLU . 21.7 ttt -36.31 -48.95 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -49.55 -49.56 45.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.3 -41.32 96.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.577 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 50.1 mtm180 -57.57 -55.36 35.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -53.44 -43.75 68.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -63.28 -58.46 7.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . 0.479 HD13 ' CD2' ' A' ' 732' ' ' PHE . 38.3 mt -53.37 -49.7 66.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -59.44 -51.86 68.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . 0.432 ' O ' HG22 ' A' ' 777' ' ' VAL . 33.6 m-20 -47.07 -55.43 8.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -55.49 -43.63 75.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -55.26 -56.28 21.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 774' ' ' ASN . 34.8 m -65.77 -34.04 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . . . . . . . . . . . -55.27 -42.62 73.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 782' ' ' LYS . . . -87.29 -45.23 10.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.084 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -43.14 -39.79 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.079 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -73.81 -33.01 64.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 779' ' ' ALA . 8.3 tmtm? -50.84 -64.14 0.9 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 785' ' ' LYS . 0.1 OUTLIER -110.28 30.8 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.826 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -42.84 -23.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 783' ' ' LYS . 19.6 tptp -72.54 -56.64 5.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -76.49 83.8 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 91.6 p -59.0 -48.25 82.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 164.69 146.17 4.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -41.83 3.97 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.339 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 2.8 t -45.03 96.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 9.0 m -164.41 165.58 21.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.508 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 48.3 m -93.49 133.99 36.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 713' ' ' GLY . 22.7 t -97.1 109.2 22.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.88 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 712' ' ' SER . . . 37.08 -156.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 88.5 p -109.61 145.28 36.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.877 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 43.5 t -109.54 150.59 27.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . -67.77 138.85 33.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -111.24 176.96 4.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.88 0.371 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -83.25 -56.56 3.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -130.41 126.6 37.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -76.9 -40.81 46.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.15 -53.9 18.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -54.3 111.76 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.928 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -77.97 -32.17 51.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 725' ' ' ILE . 8.7 tppt? -39.86 -56.39 1.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.432 ' C ' ' O ' ' A' ' 724' ' ' LYS . 40.8 mt -35.64 -50.62 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.163 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 62.0 mtp -64.18 -57.1 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -45.22 -57.67 3.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . . . . . . . . . . . -56.31 -65.53 0.59 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -42.98 -40.38 2.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . 0.405 ' C ' ' OE1' ' A' ' 730' ' ' GLU . 0.0 OUTLIER -57.35 -56.87 16.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 735' ' ' MET . 1.1 m-20 -58.83 -40.61 84.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . 0.634 ' CD1' ' HE3' ' A' ' 735' ' ' MET . 21.7 t80 -65.91 -68.41 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm -43.91 -48.27 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 67.7 mttt -70.1 -38.51 75.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . 0.634 ' HE3' ' CD1' ' A' ' 732' ' ' PHE . 8.7 tmm? -59.66 -44.82 93.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . 0.437 ' HB3' ' CE2' ' A' ' 776' ' ' PHE . 46.6 mtm -69.78 -46.48 65.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -48.47 -44.6 35.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -68.7 -52.89 26.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -39.02 -44.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . . . . . . . . . 43.5 mttt 55.97 41.8 29.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . 0.461 ' HE1' HG12 ' A' ' 777' ' ' VAL . 5.6 p90 -68.9 176.17 3.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -91.91 143.91 28.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.622 0.725 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -26.46 27.4 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -54.76 -38.88 67.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -57.26 153.36 12.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.668 HG23 ' H ' ' A' ' 749' ' ' GLU . 11.8 t -94.69 165.82 12.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -60.54 -42.79 97.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 3.9 t -56.08 -54.67 42.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . 0.668 ' H ' HG23 ' A' ' 746' ' ' THR . 6.4 mm-40 -55.34 -44.78 76.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -64.18 -37.1 86.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 755' ' ' ALA . . . -60.42 -57.34 13.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.146 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.75 63.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . 0.474 ' CG ' ' O ' ' A' ' 749' ' ' GLU . 2.7 mmmm -69.91 -40.66 75.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . 0.543 ' O ' ' CG ' ' A' ' 760' ' ' PHE . 63.1 m-70 -113.02 31.18 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.565 ' HA ' ' CD1' ' A' ' 760' ' ' PHE . . . -76.26 -52.5 9.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -54.53 -24.36 20.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 758' ' ' SER . 16.8 t70 -59.99 103.19 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 757' ' ' ASP . 32.3 t -34.75 -60.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 762' ' ' ALA . 81.1 mtt180 -43.77 -52.55 6.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 755' ' ' ALA . 1.4 t80 -53.43 -44.4 68.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 25.4 mttt -58.09 -32.34 67.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 759' ' ' ARG . . . -49.82 -27.58 5.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.07 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . 0.422 HG22 ' HG3' ' A' ' 769' ' ' ARG . 27.9 mm -86.08 133.63 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.171 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -122.41 -61.9 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . . . . . . . . . 57.8 mttp -44.4 111.78 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 6.5 ttt -50.03 -53.44 26.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -43.1 -42.07 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.07 -47.38 71.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.422 ' HG3' HG22 ' A' ' 763' ' ' ILE . 60.2 mtp180 -54.2 -48.08 71.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -70.78 -60.58 2.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -46.5 -51.38 15.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . 0.546 HD13 ' CD2' ' A' ' 732' ' ' PHE . 34.3 mt -56.39 -58.47 7.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . 0.451 ' CZ ' HG11 ' A' ' 777' ' ' VAL . 87.1 t80 -55.54 -63.78 1.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . 0.664 ' O ' HG22 ' A' ' 777' ' ' VAL . 74.4 m-20 -34.98 -65.39 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . 0.507 ' O ' ' HB3' ' A' ' 778' ' ' ALA . 13.2 tp10 -47.39 -50.69 21.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' ' 736' ' ' MET . 15.1 t80 -49.66 -62.63 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 774' ' ' ASN . 26.7 m -56.94 -28.84 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 775' ' ' GLU . . . -62.06 -42.11 98.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -87.4 -34.74 18.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -57.81 -46.38 84.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.088 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . 0.403 ' CG ' ' HB3' ' A' ' 784' ' ' GLU . 10.6 ptm180 -57.98 169.09 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -99.71 -37.18 9.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -84.17 28.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 785' ' ' LYS . 3.5 pt-20 -67.76 -2.92 7.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 784' ' ' GLU . 18.4 tptp -34.32 127.72 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -123.3 126.63 47.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 40.0 m -94.06 149.34 21.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 62.5 156.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 122.4 9.06 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.323 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 50.9 m -68.26 -50.43 53.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.82 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 1.8 m 54.44 41.85 31.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.493 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 710' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 712' ' ' SER . 5.6 m -128.3 123.04 33.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.836 0.35 . . . . 0.0 110.904 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 712' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 711' ' ' SER . 25.7 p -37.87 -41.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 713' ' ' GLY . . . . . . . . . . . . . . . 52.43 -114.94 3.76 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 714' ' ' SER . . . . . . . . . . . . . 2.2 m -131.34 156.63 45.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 715' ' ' SER . . . . . . . . . . . . . 90.3 p -117.29 157.14 26.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 716' ' ' GLY . . . . . . . . . . . . . . . 127.98 65.68 0.13 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.47 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . 0.414 ' N ' ' OE1' ' A' ' 717' ' ' GLU . 0.5 OUTLIER -74.2 124.59 26.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.84 0.352 . . . . 0.0 110.917 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 718' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -99.75 -56.57 2.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 719' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -95.22 126.01 40.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 720' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -102.44 -48.41 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 721' ' ' LYS . . . . . . . . . . . . . 9.0 ttmt -67.34 -61.06 2.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 722' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -81.47 99.67 8.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 723' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -82.35 86.86 6.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 724' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 725' ' ' ILE . 22.8 tptt -118.14 -68.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 725' ' ' ILE . . . . . 0.703 ' H ' HD12 ' A' ' 725' ' ' ILE . 3.5 mp -36.42 -64.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 726' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -47.12 -54.56 10.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 727' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -39.34 -58.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 728' ' ' ALA . . . . . 0.429 ' CB ' ' HB1' ' A' ' 762' ' ' ALA . . . -54.7 -41.35 70.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 23.1 mtmm -62.73 -36.99 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -62.53 -57.96 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 731' ' ' ASP . . . . . 0.474 ' HB3' ' CG ' ' A' ' 759' ' ' ARG . 1.1 m-20 -61.05 -25.0 66.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 732' ' ' PHE . . . . . 0.433 ' CG ' HG13 ' A' ' 763' ' ' ILE . 67.3 t80 -77.13 -64.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 733' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -51.84 -42.73 62.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 734' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -69.41 -39.75 77.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 735' ' ' MET . . . . . . . . . . . . . 30.5 ttp -58.36 -48.74 79.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 736' ' ' MET . . . . . . . . . . . . . 53.5 mtm -63.02 -44.1 96.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 737' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.54 -45.7 63.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 738' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -65.17 -45.25 85.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 739' ' ' ALA . . . . . 0.466 ' O ' ' CG ' ' A' ' 740' ' ' LYS . . . -59.12 -34.11 71.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 740' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 739' ' ' ALA . 18.3 pttp 46.81 40.92 9.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 741' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -56.3 175.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 742' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -91.75 142.55 26.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.632 0.73 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 743' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.86 19.58 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.711 2.274 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 744' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -77.63 -33.56 53.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 745' ' ' ALA . . . . . . . . . . . . . . . -58.45 153.29 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 746' ' ' THR . . . . . 0.428 HG23 ' HG3' ' A' ' 749' ' ' GLU . 0.1 OUTLIER -95.56 148.44 22.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.142 -179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 747' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 769' ' ' ARG . 4.0 t80 -44.55 -35.23 2.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 748' ' ' SER . . . . . . . . . . . . . 12.2 t -66.59 -55.47 15.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 749' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 753' ' ' LYS . 34.2 mt-10 -52.49 -35.64 53.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 750' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -73.75 -39.4 64.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 751' ' ' ALA . . . . . 0.442 ' HA ' ' CE2' ' A' ' 760' ' ' PHE . . . -61.2 -49.53 76.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 752' ' ' ALA . . . . . 0.589 ' HA ' ' HB2' ' A' ' 755' ' ' ALA . . . -72.28 -47.23 51.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 753' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 749' ' ' GLU . 0.0 OUTLIER -50.49 -39.85 49.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 754' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -110.57 17.81 20.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 755' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 752' ' ' ALA . . . -63.54 -8.94 10.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 756' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.3 -11.89 16.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 757' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 758' ' ' SER . 10.3 t0 -71.3 108.67 4.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 758' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 757' ' ' ASP . 2.1 t -36.77 -59.95 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 759' ' ' ARG . . . . . 0.474 ' CG ' ' HB3' ' A' ' 731' ' ' ASP . 2.2 mpt_? -46.69 -49.62 19.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 760' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 751' ' ' ALA . 35.0 t80 -55.39 -41.77 73.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 761' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -57.69 -25.2 59.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 762' ' ' ALA . . . . . 0.429 ' HB1' ' CB ' ' A' ' 728' ' ' ALA . . . -61.54 -37.92 85.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . 0.433 HG13 ' CG ' ' A' ' 732' ' ' PHE . 19.6 mm -91.82 77.06 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 764' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -78.71 -31.59 46.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 765' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 765' ' ' LYS . 0.0 OUTLIER -59.5 89.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 766' ' ' MET . . . . . . . . . . . . . 2.6 ttt -39.4 -39.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 767' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.97 -54.8 38.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 768' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -60.89 -32.37 71.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 769' ' ' ARG . . . . . 0.579 ' HB3' ' CE1' ' A' ' 747' ' ' PHE . 40.0 mtm180 -63.39 -51.32 66.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 770' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -65.55 -35.36 80.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 771' ' ' ALA . . . . . . . . . . . . . . . -70.98 -62.7 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 772' ' ' LEU . . . . . . . . . . . . . 46.3 mt -51.98 -40.42 60.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 773' ' ' PHE . . . . . 0.574 ' CE1' HG11 ' A' ' 777' ' ' VAL . 40.1 t80 -71.84 -49.5 37.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -46.38 -43.29 16.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 775' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.56 -48.24 49.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 776' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -47.37 -56.44 6.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 777' ' ' VAL . . . . . 0.621 HG23 ' N ' ' A' ' 778' ' ' ALA . 24.7 m -62.91 -50.6 79.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 778' ' ' ALA . . . . . 0.621 ' N ' HG23 ' A' ' 777' ' ' VAL . . . -39.05 -42.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 779' ' ' ALA . . . . . . . . . . . . . . . -86.35 -42.32 13.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 780' ' ' ALA . . . . . . . . . . . . . . . -49.95 -27.62 5.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 781' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -94.17 36.05 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 782' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -159.87 159.55 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 783' ' ' LYS . . . . . . . . . . . . . 1.2 pmtp? -126.7 -30.65 2.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 784' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -111.84 37.05 3.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 785' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -77.93 54.44 1.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -64.19 -41.32 97.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 787' ' ' SER . . . . . . . . . . . . . 2.6 t -46.4 -52.0 13.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 788' ' ' GLY . . . . . . . . . . . . . . . 102.86 -164.18 16.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.496 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 789' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -30.02 23.0 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.333 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 790' ' ' SER . . . . . . . . . . . . . 22.2 m -126.72 148.57 49.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 791' ' ' SER . . . . . . . . . . . . . 32.3 t -96.18 -49.89 5.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.814 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 792' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.982 . . . . . . . . 0 0 . 1 stop_ save_