data_2jx0_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 2jx0 _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 ' 644' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.817 0.257 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.31 135.51 24.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.572 0.701 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -49.11 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.724 2.283 . . . . 0.0 112.329 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -113.82 -148.85 10.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.37 152.69 39.32 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.651 0.739 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.267 . . . . 0.0 112.369 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 5.1 m -123.78 120.61 33.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.43 -53.35 44.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -58.43 -48.41 80.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -51.39 -36.68 44.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 85.4 t -69.2 -47.25 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.46 -52.94 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.37 -29.93 70.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -70.93 -36.75 72.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.42 -44.42 16.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -57.78 -36.36 72.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -71.8 -30.92 66.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.76 -45.05 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 68.3 p -60.86 -37.66 82.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.35 -43.06 78.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -60.97 -34.45 74.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 16.5 mt -69.31 -39.92 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -55.79 -34.43 65.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -61.29 -38.97 88.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -38.41 72.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 24.1 mt -70.04 -49.16 54.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -60.44 -37.1 79.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.03 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.13 -48.98 48.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -64.21 -26.49 68.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -95.46 7.84 45.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 51.76 73.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -128.85 66.0 1.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -55.59 -33.44 63.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -71.41 -22.24 61.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 75.5 m -91.21 -5.27 55.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -72.08 -36.55 69.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.553 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.72 -56.15 33.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.749 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.0 Cg_endo -69.76 -42.63 3.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.645 2.23 . . . . 0.0 112.334 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 10.9 m -58.24 -38.96 77.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 1.4 t -75.02 -32.34 61.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.15 -47.53 64.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -58.3 -33.53 69.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 66.3 mt -68.75 -37.77 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -64.77 -36.75 85.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.75 -46.77 81.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.59 84.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 89.5 t -68.27 -51.47 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 51.6 m -67.15 -43.54 82.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.92 -42.64 94.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -50.1 66.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.79 79.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -36.57 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.87 -20.79 65.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -88.32 153.94 51.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.672 0.749 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.89 20.24 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.67 2.247 . . . . 0.0 112.4 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.66 -6.98 50.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.0 92.67 4.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.59 0.709 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 155.13 66.79 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -111.9 16.06 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.02 137.14 49.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.636 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 2.9 mt-10 -62.01 -51.7 73.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.635 0.731 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.78 -28.78 24.76 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 20.9 t -66.9 -37.13 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -65.91 -46.05 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 26.3 m -75.16 -36.51 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 18.4 m -58.99 -34.54 71.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.05 -29.78 67.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -72.6 -48.32 40.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.3 pp -71.74 -40.33 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.46 -51.21 69.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -64.88 -40.32 94.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -66.98 -33.83 76.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -48.15 81.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -68.72 -29.94 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -45.97 58.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -45.3 93.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -40.63 89.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -47.12 78.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 17.1 t -66.25 -38.5 88.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.14 -49.57 55.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 18.3 m -69.44 -27.8 65.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -53.79 -36.79 62.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.82 70.41 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.7 p -90.55 -177.63 5.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.657 0.742 . . . . 0.0 111.125 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 50.0 p90 . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -60.07 -41.95 93.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -27.82 61.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -49.66 76.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 1.3 m -57.97 -37.46 74.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -69.6 -35.0 74.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -70.23 -45.06 67.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.0 m -66.99 -38.85 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.66 -46.81 91.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -61.85 -46.11 90.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 5.6 t -66.72 -47.8 71.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.2 98.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.37 -35.82 80.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.03 -48.26 63.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -34.74 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.63 -44.18 78.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -71.92 -35.23 69.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.84 -26.91 67.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.62 -32.37 65.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -58.79 -38.31 78.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -72.99 -28.48 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.51 -39.26 38.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.62 -36.49 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.2 t -70.84 -33.64 70.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.71 -38.96 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 29.3 p -68.97 -41.99 77.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 95.9 m -66.03 -49.1 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -65.15 -31.56 72.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.777 0.24 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -96.72 136.83 21.52 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.544 0.688 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.13 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.32 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -111.21 -144.71 9.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.01 152.46 44.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.572 0.701 . . . . 0.0 110.943 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 4.9 m -123.46 120.57 33.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.7 m -65.7 -52.49 50.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.68 -48.26 80.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -51.1 -37.09 43.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.28 -46.72 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.82 -52.81 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.01 -30.94 71.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -70.63 -36.32 73.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.96 -44.18 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.85 -36.65 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -71.63 -30.73 66.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.17 -46.06 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 75.8 p -59.63 -35.84 75.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.27 -43.88 76.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -60.73 -36.99 80.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 15.0 mt -66.22 -40.59 87.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -34.49 66.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.31 -38.27 86.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -39.33 71.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 23.5 mt -69.64 -49.34 54.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -60.01 -36.96 78.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -70.09 -30.1 67.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.8 -49.15 49.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -62.32 -38.25 88.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -80.78 -2.9 49.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 61.49 73.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -132.25 75.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -60.41 -29.98 69.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -71.4 -22.77 61.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.93 -6.72 53.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -71.48 -34.4 70.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.558 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -58.22 -56.23 37.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.4 Cg_endo -69.77 -43.28 2.74 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.632 2.221 . . . . 0.0 112.36 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 15.5 m -58.15 -37.17 74.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 2.1 t -75.46 -32.19 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -71.86 -47.34 53.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -57.58 -35.82 70.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 58.0 mt -67.44 -37.3 78.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -64.89 -36.8 85.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.6 mt -57.18 -49.28 76.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.39 83.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 98.1 t -68.59 -51.5 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 92.0 m -67.11 -43.66 81.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.94 -35.59 73.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 3.0 ttp -65.15 -50.67 65.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -52.78 -36.75 58.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 30.5 t -55.9 -32.47 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -20.98 65.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -96.94 155.44 37.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 174.12 10.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -24.01 21.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -150.11 117.81 3.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 110.809 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.31 38.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -120.33 21.01 11.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.9 139.98 51.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.626 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 10.7 mt-10 -61.46 -52.69 68.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.738 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.5 Cg_endo -69.76 -29.51 23.75 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 28.4 t -66.74 -38.54 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -65.32 -46.23 81.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 58.1 m -73.42 -39.46 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 34.7 m -59.29 -29.84 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.17 -29.95 63.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -72.3 -48.38 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.4 pp -70.49 -39.19 74.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 3.5 tp -63.67 -51.26 65.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -65.17 -46.06 82.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.84 76.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -42.64 99.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -73.02 -30.0 63.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.055 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -71.45 -46.06 61.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 17.6 mtt85 -62.6 -43.83 97.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -40.15 88.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -47.05 78.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 31.2 t -66.57 -38.45 87.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -69.14 -49.94 52.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 17.6 m -69.45 -27.87 65.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -53.69 -36.76 62.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -103.83 70.69 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 5.1 p -88.79 -177.85 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.683 0.754 . . . . 0.0 111.124 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.747 0.308 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -56.36 -43.25 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -27.9 61.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -49.45 77.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.99 -37.91 75.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -69.06 -34.99 76.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -70.01 -45.0 68.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.3 m -67.87 -39.01 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.0 mt -64.59 -49.3 81.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -62.1 -45.92 91.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 71.7 m -65.08 -47.9 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.1 -42.0 99.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.48 -35.76 79.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.33 -48.28 61.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -34.8 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.084 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.72 -43.93 78.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -66.08 -32.91 74.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.89 -26.96 67.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -64.52 -30.13 71.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -66.72 -39.85 88.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -73.99 -31.28 62.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.94 -37.8 38.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.96 -32.26 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.2 t -76.93 -35.19 57.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.9 mm -66.57 -38.79 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 43.0 p -67.96 -43.35 79.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.4 m -66.16 -49.19 68.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -24.23 62.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.778 0.241 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -92.78 134.29 27.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.551 0.691 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -49.19 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.303 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -116.42 -131.5 4.76 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.98 154.28 71.22 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.639 0.733 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -51.76 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.326 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 4.4 m -124.22 120.7 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.78 -53.07 45.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.135 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -57.92 -48.66 79.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -51.25 -35.96 39.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 98.1 t -70.08 -46.94 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.64 -53.26 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.46 -29.25 70.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -71.17 -36.6 72.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.5 -44.37 16.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -57.58 -36.18 71.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -71.79 -30.49 65.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 72.6 t -63.06 -47.4 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 68.9 p -58.92 -36.5 74.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -68.25 -44.67 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -60.67 -31.75 70.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 17.5 mt -72.19 -38.14 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.67 -34.9 69.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -36.1 79.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -38.02 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.67 -49.02 64.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -60.51 -37.24 80.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -66.69 -32.84 74.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.29 -49.14 45.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -62.72 -24.08 67.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -95.21 10.81 34.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 51.48 66.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -129.22 85.6 2.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -64.94 -38.55 91.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.37 -23.46 63.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 39.5 m -75.49 -15.02 60.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -71.95 -35.34 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.535 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -54.84 -57.26 20.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.8 Cg_endo -69.75 -44.54 2.03 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.246 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 23.3 m -59.97 -33.77 72.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 65.0 m -75.52 -32.42 60.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.58 -48.32 64.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -58.67 -39.14 79.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.53 -37.33 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -63.43 -37.16 86.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.44 -50.3 73.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.47 82.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 92.1 t -67.96 -51.42 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 94.6 m -67.19 -43.32 82.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.94 -38.95 80.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -49.58 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.34 83.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 43.4 t -55.41 -38.13 68.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -21.01 65.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -94.65 153.64 40.16 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.584 0.707 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 176.61 6.52 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.391 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -3.78 37.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -154.29 93.53 2.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 159.34 53.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -111.35 7.44 20.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.49 136.74 38.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.631 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 1.9 mt-10 -61.71 -51.57 75.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.3 Cg_endo -69.8 -29.11 24.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.64 2.226 . . . . 0.0 112.337 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.68 -36.45 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -65.31 -46.08 81.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 43.2 m -75.27 -39.6 59.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 43.8 t -59.31 -32.73 70.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -29.7 68.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -72.61 -48.31 40.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.4 pp -72.14 -39.95 68.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.97 -51.05 68.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.08 -41.14 95.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.92 76.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 1.7 m -61.9 -48.04 82.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.88 68.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -74.79 -45.38 43.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -62.01 -45.36 93.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -38.93 83.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.96 -45.59 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 6.1 t -66.16 -37.73 86.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -66.84 -49.38 65.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 12.3 p -69.17 -27.02 65.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -36.93 84.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.71 74.11 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 50.7 p -102.59 -175.77 2.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.656 0.741 . . . . 0.0 111.122 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 52.3 p90 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.794 0.331 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -60.21 -43.91 95.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.7 -28.54 61.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -50.96 72.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 1.8 m -59.83 -36.55 77.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -69.59 -35.18 75.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -70.02 -45.44 67.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.4 m -66.55 -38.75 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 56.3 mt -66.3 -49.93 71.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -59.51 -46.44 88.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 93.7 m -63.74 -44.58 93.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.32 94.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -67.8 -35.76 79.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -70.0 -48.47 57.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -34.19 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.35 -44.0 80.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -29.01 70.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -68.76 -34.24 75.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -62.01 -33.66 74.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -66.78 -39.59 87.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.11 -31.53 62.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 1.3 tt -78.69 -37.61 41.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.22 -32.27 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.2 t -77.14 -35.17 56.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.49 -41.85 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 75.4 p -69.03 -41.05 78.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 89.3 m -65.54 -48.36 72.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -65.63 -31.71 72.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.884 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.793 0.247 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -97.28 136.88 21.22 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.631 0.729 . . . . 0.0 110.83 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.1 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.248 . . . . 0.0 112.302 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -106.38 -147.86 15.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.14 157.35 41.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 110.915 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -52.26 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.287 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 6.2 m -124.4 119.88 30.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -66.42 -53.22 38.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.122 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -57.65 -47.54 81.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -50.71 -37.22 40.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 85.9 t -69.24 -47.1 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.83 -52.62 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.08 -30.23 71.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -71.28 -36.81 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.02 -44.53 16.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -57.45 -36.46 71.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -71.92 -30.77 65.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.72 -45.54 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 72.4 p -60.72 -36.91 80.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.31 -44.14 76.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -60.8 -35.4 76.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 14.4 mt -67.43 -37.97 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.09 -34.55 72.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -61.43 -36.24 79.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -37.89 73.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.38 -49.03 65.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -60.42 -37.46 80.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.61 71.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.62 -49.29 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -64.37 -23.53 67.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -93.2 10.02 33.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 51.65 62.87 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -127.1 84.27 2.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -64.86 -38.67 91.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.32 -22.89 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 34.1 m -75.48 -14.94 60.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -71.61 -35.39 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.53 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.11 -57.26 20.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.647 0.737 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.8 Cg_endo -69.74 -44.69 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.744 2.296 . . . . 0.0 112.324 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.8 m -59.74 -35.08 73.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 9.9 t -74.69 -32.2 62.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -69.72 -47.63 62.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -58.6 -34.32 70.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 52.8 mt -68.67 -37.78 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -64.13 -36.57 84.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.9 -48.06 79.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -63.09 -36.7 84.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.31 -51.77 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 59.5 m -67.45 -43.12 81.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.25 -43.1 99.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 1.7 ttt -65.08 -50.06 67.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.35 83.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 20.0 t -55.82 -36.98 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . 0.404 ' HG ' ' CD1' ' A' ' 698' ' ' PHE . 0.6 OUTLIER -63.08 -22.94 67.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . 0.404 ' CD1' ' HG ' ' A' ' 697' ' ' LEU . 48.3 m-85 -86.25 151.6 54.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.32 64.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -20.11 40.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -130.33 87.12 51.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.16 69.23 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -112.84 20.93 16.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.86 137.9 51.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.63 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 12.3 mt-10 -61.57 -51.92 73.4 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.707 0.765 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.7 Cg_endo -69.81 -29.53 23.46 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.1 t -66.75 -39.05 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -65.68 -46.03 80.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 59.0 m -73.47 -37.06 65.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 5.2 t -59.01 -34.55 72.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -29.8 68.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -72.48 -48.49 40.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.3 pp -71.52 -40.53 70.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 19.4 tp -64.62 -50.45 67.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -65.15 -40.57 94.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.12 -33.83 76.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -48.1 82.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -63.11 -29.93 71.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -76.52 -46.01 28.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -60.96 -44.18 97.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -44.98 94.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -56.95 -34.89 68.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -37.57 85.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.9 -49.38 58.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 7.2 p -65.39 -26.64 68.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -49.1 77.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -96.05 71.25 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 14.4 p -100.33 -177.75 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.648 0.737 . . . . 0.0 111.121 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 1.9 p90 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -67.93 -45.79 73.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -29.26 61.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -50.23 74.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 3.4 m -58.12 -32.84 68.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -69.23 -35.42 76.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -69.19 -45.14 70.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.6 m -67.86 -38.85 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 60.4 mt -66.99 -50.26 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -59.18 -46.35 88.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 2.1 t -64.79 -48.16 75.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.93 92.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -67.75 -35.66 79.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -70.53 -48.21 56.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -34.19 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.25 -44.13 80.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -74.09 -37.13 64.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -61.83 -26.97 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.11 -22.14 61.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -68.46 -30.28 69.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -73.22 -41.26 63.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 4.4 pp -77.87 -29.03 50.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 1.4 p -80.73 -30.95 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 10.7 t -78.81 -32.64 46.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.39 -38.93 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 72.1 p -67.62 -43.35 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.7 m -66.38 -48.99 68.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -22.52 61.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.911 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.813 0.255 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.57 137.34 21.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.654 0.74 . . . . 0.0 110.869 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.242 . . . . 0.0 112.405 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -107.97 -149.7 14.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.48 152.36 41.32 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.58 0.705 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.6 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 3.1 m -123.55 120.49 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.55 -53.29 44.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.108 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -48.22 80.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -51.57 -37.05 47.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.19 -47.19 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.19 -52.63 53.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.85 -30.25 71.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -71.08 -36.67 72.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.31 -44.39 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -36.5 71.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -71.61 -30.84 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.14 -44.86 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 82.2 p -61.18 -36.8 80.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.3 -44.65 75.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -60.81 -31.92 71.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 15.7 mt -71.52 -37.78 65.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.58 -34.25 75.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.13 -36.72 80.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -38.14 72.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.7 -49.14 67.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -60.41 -37.41 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.05 -32.61 73.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.74 -48.91 51.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -64.06 -26.0 68.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.958 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -96.76 7.99 45.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 51.68 73.77 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -129.9 67.03 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -55.78 -32.56 63.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -71.39 -22.53 61.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 48.7 m -90.75 -5.73 55.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -72.14 -35.22 69.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.55 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -56.1 -56.49 30.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.612 0.72 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.8 -44.93 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.724 2.282 . . . . 0.0 112.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 29.2 m -59.21 -39.81 83.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 6.7 t -74.78 -32.25 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -72.21 -46.99 53.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -57.53 -33.55 68.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 52.9 mt -68.04 -37.55 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -65.82 -37.12 85.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 6.2 mt -56.92 -45.63 82.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -63.02 -36.58 84.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.38 -51.38 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 63.5 m -66.39 -42.99 87.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.91 -37.64 77.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -50.07 67.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -60.28 -36.19 77.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 4.6 t -55.98 -32.36 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.27 -20.84 63.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -84.97 158.09 59.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 167.31 24.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -29.76 14.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -148.56 121.09 4.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.586 0.707 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.67 30.18 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -122.27 25.14 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 1.2 tp -125.48 139.73 53.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.632 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 2.3 mt-10 -61.32 -51.97 74.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.734 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.77 -29.67 23.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 24.8 t -66.77 -38.95 82.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -65.41 -46.2 80.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 67.1 m -72.79 -39.35 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 3.4 t -59.36 -29.95 68.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.05 -30.02 63.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -72.28 -48.12 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.4 pp -70.89 -39.37 72.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.86 -51.12 69.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.961 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -65.14 -40.07 93.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.87 -34.03 77.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -48.08 82.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -73.06 -39.39 65.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.03 -36.54 84.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 10.9 mtt85 -71.7 -42.2 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -47.0 85.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -41.02 99.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 30.3 t -66.02 -43.63 87.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -68.63 -48.89 62.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 33.2 m -66.94 -27.71 67.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -36.8 66.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -102.16 37.98 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.99 178.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.595 0.712 . . . . 0.0 111.176 179.859 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 27.7 p90 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.798 0.332 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -62.71 -39.63 94.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.17 -27.83 61.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -51.23 70.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 1.5 m -57.95 -38.54 76.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -34.57 74.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -71.04 -45.04 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.86 -38.87 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.4 mt -65.38 -50.35 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -62.49 -45.92 90.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 52.0 m -64.97 -48.05 75.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.98 94.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.32 -35.9 80.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -70.23 -48.53 56.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -34.53 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.39 -44.05 79.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -65.93 -37.75 86.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -61.01 -26.97 67.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.06 -43.58 87.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -58.91 -38.16 78.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -28.38 62.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.67 -39.29 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.61 -36.48 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.3 t -70.53 -33.0 70.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.49 -41.52 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 19.5 p -69.01 -41.43 77.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 86.2 m -64.04 -48.49 76.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -67.86 -32.09 72.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.799 0.25 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -94.05 135.22 24.86 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 0.0 110.849 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -49.01 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.393 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -110.79 -148.68 11.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.74 152.81 40.23 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.563 0.697 . . . . 0.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 9.6 m -123.9 119.93 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.3 m -66.13 -53.6 35.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.71 -48.59 80.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -50.95 -36.8 40.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.29 -47.23 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.63 -52.87 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.29 -30.01 71.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -70.85 -36.96 73.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.14 -44.48 16.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -57.94 -36.41 72.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -71.78 -31.11 66.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 68.5 t -63.39 -45.56 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 81.9 p -60.44 -37.02 79.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.5 -42.24 78.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . 0.434 HD21 ' N ' ' A' ' 664' ' ' ASN . 1.3 m-80 -62.81 -31.13 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 17.1 mt -72.56 -38.13 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -55.76 -34.79 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.54 -38.07 86.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -38.31 73.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.3 -49.18 58.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.79 -37.15 80.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.95 -30.51 68.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.89 -49.14 49.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -62.69 -37.03 84.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -81.78 -3.03 52.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 61.61 73.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -132.3 75.07 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -60.39 -29.83 69.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -71.44 -22.79 61.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.97 -6.39 54.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -71.67 -37.58 70.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.555 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -54.78 -56.22 29.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.106 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.0 Cg_endo -69.76 -44.23 2.2 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 18.5 m -58.49 -38.89 78.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 3.2 t -74.63 -32.28 62.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.31 -47.38 50.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.2 -34.57 70.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 58.4 mt -68.32 -37.5 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -64.51 -36.8 85.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.3 mt -56.88 -50.38 72.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.48 74.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.32 -51.36 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 96.5 m -66.54 -41.68 88.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.98 -41.64 88.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -49.96 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -60.34 -36.31 77.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -36.21 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . 0.41 ' HG ' ' CD1' ' A' ' 698' ' ' PHE . 0.6 OUTLIER -65.69 -21.95 66.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . 0.41 ' CD1' ' HG ' ' A' ' 697' ' ' LEU . 47.8 m-85 -86.58 150.88 52.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.653 0.739 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.79 36.97 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.627 2.218 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -9.75 57.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.51 90.06 6.64 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 154.36 67.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -112.61 15.21 20.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.78 137.26 49.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.639 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 17.4 mt-10 -62.01 -51.77 72.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.667 0.746 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.5 Cg_endo -69.71 -28.41 25.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 18.4 t -67.12 -38.21 80.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -66.16 -45.33 81.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 2.3 t -75.11 -35.07 61.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 9.8 t -58.74 -36.0 73.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.29 -29.82 68.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -72.74 -48.42 38.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.3 pp -71.79 -40.59 69.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 4.6 tp -60.5 -51.26 70.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -65.16 -41.05 95.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.05 -33.79 76.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.068 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -48.18 81.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -71.59 -30.16 65.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -38.49 71.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -72.04 -45.15 61.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -47.17 86.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -62.31 -43.61 98.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 10.0 t -66.32 -38.56 87.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -69.11 -49.5 56.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 66.7 m -69.39 -27.61 65.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -53.6 -36.67 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -106.5 45.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 1.4 p -66.88 -177.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 111.122 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 50.1 p90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -55.12 -57.2 12.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 53.9 mt -61.96 -27.63 68.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -51.01 71.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 1.5 m -64.84 -36.4 84.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -69.69 -34.81 74.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -70.4 -45.14 66.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.8 m -66.75 -38.71 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 53.6 mt -66.13 -50.08 71.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -62.56 -44.06 97.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 6.3 t -66.97 -48.31 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.04 91.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -67.67 -35.61 79.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -67.59 -48.58 66.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -34.64 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.71 -44.21 78.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -65.05 -31.75 73.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.85 -27.05 67.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.99 -29.61 68.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -67.28 -37.77 83.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -33.92 62.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.43 -36.16 45.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.3 -32.17 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.5 t -77.52 -34.82 53.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.78 -40.44 85.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 44.4 p -69.1 -41.47 77.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 95.2 m -65.98 -48.86 69.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.168 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -63.57 -32.97 74.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.744 0.227 . . . . 0.0 112.365 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -98.07 136.94 20.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.34 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -117.03 -143.8 7.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.5 151.12 39.14 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.548 0.69 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -51.62 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.662 2.241 . . . . 0.0 112.32 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 5.6 m -124.15 121.39 34.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.8 m -64.56 -53.13 52.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -48.12 81.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -51.79 -36.41 47.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 93.3 t -69.16 -47.08 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.61 -52.71 50.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.63 -30.02 71.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -70.79 -36.83 73.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -44.39 16.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.82 -36.36 72.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -71.93 -31.27 66.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.79 -46.72 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 75.6 p -58.96 -37.53 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.47 -42.23 79.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -60.79 -35.22 75.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 14.1 mt -70.44 -40.5 77.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -33.88 65.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.67 -35.58 76.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -40.1 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.09 -49.61 49.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -58.78 -36.61 74.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.95 -33.71 74.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.45 -49.34 42.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -59.91 -20.72 58.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -100.69 11.52 39.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 54.97 65.47 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -129.34 81.62 2.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -64.51 -37.81 88.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.55 -23.09 63.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 34.5 m -75.46 -14.36 60.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -72.16 -38.19 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.53 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -52.14 -57.09 16.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.2 Cg_endo -69.82 -43.11 2.8 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 10.4 m -58.1 -32.16 67.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 4.8 p -75.26 -32.48 61.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.11 -48.16 58.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -58.31 -37.5 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.2 -37.37 79.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -63.18 -37.17 86.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.95 -50.08 74.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.74 -36.48 83.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.24 -51.55 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 61.6 m -67.17 -43.16 82.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.03 -37.89 81.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -49.74 68.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -67.18 -36.53 81.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 1.9 m -55.59 -38.46 69.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -20.53 65.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -102.2 153.69 37.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.676 0.75 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.22 66.65 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.367 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -15.3 59.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.6 84.46 45.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.639 0.733 . . . . 0.0 110.846 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 163.8 36.9 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.27 . . . . 0.0 112.322 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -111.72 20.05 17.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.04 136.29 53.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.644 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 10.1 mt-10 -62.03 -51.54 74.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.731 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.3 Cg_endo -69.72 -28.68 25.13 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.75 -35.36 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -65.41 -46.53 79.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.1 m -75.46 -40.54 57.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 24.4 t -59.3 -28.64 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.35 -27.69 59.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -72.93 -40.7 65.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.91 -33.0 59.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 2.2 tp -67.21 -50.91 59.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -63.35 -44.71 94.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -66.71 -34.3 77.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 2.4 m -62.94 -47.51 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -67.32 -30.76 70.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -76.65 -38.09 55.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -38.53 70.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -47.16 86.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -34.89 79.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -43.17 93.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -69.15 -49.02 60.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 62.5 m -65.91 -27.9 68.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 20.0 tpp85 -57.99 -36.97 73.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.39 69.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 12.0 p -110.69 -178.03 3.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 111.096 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 2.0 p90 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -71.17 -53.45 14.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -27.68 69.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.89 -50.97 72.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 2.7 m -61.24 -36.79 80.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.6 -34.86 74.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.31 -45.29 66.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.6 m -66.63 -38.83 82.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 49.3 mt -64.16 -45.95 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -61.96 -46.22 90.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 77.5 m -65.2 -48.15 74.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.06 92.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -67.98 -35.51 78.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -67.49 -48.45 67.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -34.82 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.41 -39.01 85.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -68.58 -41.52 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -61.76 -28.38 69.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.84 75.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -58.86 -38.19 78.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -73.01 -28.3 62.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.64 -39.57 36.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.1 p -71.31 -37.01 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.3 t -69.79 -32.83 71.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.38 -38.72 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 16.1 p -67.38 -43.66 80.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.9 m -66.24 -49.13 68.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -22.55 62.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.769 0.237 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.78 137.11 20.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -49.19 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -105.21 -145.09 13.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 1.1 mt -118.74 154.62 52.81 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.633 0.73 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -51.78 0.36 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 4.3 m -124.18 120.41 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 5.0 m -66.23 -52.73 44.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.77 -48.4 79.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.76 -36.13 35.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 98.8 t -69.52 -46.88 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.61 -52.81 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.6 pp -64.17 -30.34 71.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -70.86 -36.59 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -44.39 16.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -57.86 -36.37 72.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.73 -31.14 66.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.25 -46.63 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 68.7 p -58.98 -37.27 76.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.3 -42.94 78.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -60.72 -35.11 75.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 15.2 mt -69.37 -37.89 76.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -59.18 -34.43 72.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.19 -37.91 84.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -38.68 72.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 10.2 mp -68.52 -49.3 60.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -60.35 -37.31 80.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -71.08 -30.35 66.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.01 -49.07 49.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -63.32 -37.74 88.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -80.91 -2.98 49.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 61.38 74.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -132.12 72.37 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.0 -32.1 63.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -22.24 61.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 23.7 m -89.85 -7.13 55.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -72.23 -38.26 68.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.556 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -53.44 -56.36 25.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.9 Cg_endo -69.75 -44.37 2.12 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 m -58.48 -37.36 75.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 3.3 t -75.35 -32.44 60.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -73.17 -46.9 48.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -57.5 -34.84 69.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 59.4 mt -67.51 -37.5 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -64.95 -37.43 87.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.3 mt -57.57 -47.68 81.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.5 82.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.052 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 88.9 t -69.32 -51.38 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 87.9 m -66.46 -43.0 86.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.03 -38.99 80.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.22 -49.8 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.06 79.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 2.4 t -55.35 -35.87 65.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -21.03 66.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -87.84 158.36 50.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 166.22 28.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -30.12 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -148.02 119.34 4.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.67 0.748 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 166.37 27.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -122.24 26.47 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.9 139.89 53.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.621 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 6.9 mt-10 -61.35 -52.76 68.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.703 0.763 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.76 -28.32 25.41 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 32.0 t -68.33 -37.77 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -44.89 87.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.06 -41.62 58.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.828 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 15.2 t -59.78 -38.69 82.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 5.9 tp -76.21 -28.57 57.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -72.75 -39.91 66.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.97 -32.59 59.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 7.4 tp -63.2 -51.05 67.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -64.94 -40.99 95.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.94 76.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 1.7 p -69.33 -44.01 72.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -64.86 -38.4 90.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.116 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -36.65 76.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -71.96 -45.95 59.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -47.17 87.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.2 -41.26 99.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 26.0 m -66.21 -38.96 89.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.04 -49.35 58.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.13 -28.06 66.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -36.95 63.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -102.16 48.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 1.1 p -76.96 178.63 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.734 . . . . 0.0 111.157 179.882 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 23.5 p90 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.764 0.316 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -68.83 -51.71 37.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.88 -27.66 68.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -50.86 72.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 2.0 m -57.94 -37.76 74.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -69.59 -34.78 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -70.52 -45.1 66.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.3 m -66.81 -38.65 81.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 52.9 mt -65.83 -48.67 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -62.17 -46.09 90.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 7.6 t -66.37 -46.64 76.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.93 99.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -67.22 -35.86 80.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -69.32 -48.32 61.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -34.71 71.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.19 79.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -66.35 -36.05 81.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.01 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.35 -30.8 71.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -67.0 -39.71 87.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.07 -31.38 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 28.7 tp -78.86 -37.64 39.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.19 -32.23 37.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.2 t -77.18 -35.27 56.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.42 -41.91 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 69.9 p -68.47 -41.91 79.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 97.5 m -66.13 -49.1 68.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -23.72 61.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.75 0.229 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -93.66 134.8 25.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.651 0.738 . . . . 0.0 110.828 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -49.37 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -108.79 -154.09 16.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.482 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.1 152.52 37.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.623 0.725 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -51.58 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.16 120.41 32.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.69 -53.47 40.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.49 -48.06 82.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.7 -37.19 49.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 84.2 t -68.83 -47.18 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.21 -52.46 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.16 -30.45 71.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -71.04 -36.9 72.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.12 -44.37 16.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -57.97 -36.45 72.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.81 -30.83 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.27 -46.05 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 81.9 p -59.69 -35.87 75.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.2 -45.31 73.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -60.64 -31.99 71.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 15.2 mt -72.21 -39.63 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -34.66 68.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -61.63 -36.68 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -38.76 72.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.81 -49.25 63.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -60.69 -37.41 81.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.71 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.49 -46.28 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -67.2 -25.48 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -92.32 12.06 23.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 52.38 61.33 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -127.25 70.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -58.73 -31.41 68.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -69.87 -28.61 65.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.08 -6.16 49.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -71.62 -35.22 70.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.541 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.89 -56.77 26.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.727 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.79 -44.22 2.18 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.262 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.6 m -60.46 -34.49 74.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 9.6 t -75.35 -32.36 60.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -70.24 -47.71 60.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.11 -36.73 73.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 56.4 mt -67.18 -37.57 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -63.84 -36.79 85.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -57.31 -50.26 73.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.58 76.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 91.5 t -65.33 -51.78 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 43.1 m -67.31 -42.13 84.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.47 -44.39 97.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.16 -50.01 67.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.53 83.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 31.3 t -56.19 -36.6 68.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . 0.401 ' HG ' ' CD1' ' A' ' 698' ' ' PHE . 0.5 OUTLIER -63.53 -22.84 67.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . 0.401 ' CD1' ' HG ' ' A' ' 697' ' ' LEU . 47.1 m-85 -85.89 149.24 50.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 153.5 68.73 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.739 2.292 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -17.42 55.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.19 88.73 25.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.699 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 162.55 41.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -119.51 14.71 12.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 1.2 tp -112.98 139.06 48.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.635 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 4.7 mt-10 -61.62 -51.62 75.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.686 0.755 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.1 Cg_endo -69.71 -29.52 23.97 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.634 2.223 . . . . 0.0 112.359 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.44 -38.77 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -66.02 -46.11 79.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 38.7 m -73.65 -35.73 65.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 48.5 t -58.94 -35.12 72.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -29.79 68.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -72.64 -48.29 40.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.3 pp -71.73 -40.45 69.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 3.2 tp -62.27 -51.14 68.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -63.97 -41.39 97.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.09 -33.8 76.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 5.8 m -61.84 -48.2 81.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -65.81 -31.13 71.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -77.11 -34.52 56.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -71.4 -43.15 67.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -41.59 92.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.85 -36.78 70.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -37.59 85.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -68.18 -49.39 61.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 8.7 p -66.46 -26.86 67.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -66.15 -37.69 86.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -108.81 75.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 52.2 p -102.95 -176.79 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 0.0 111.179 179.913 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 22.1 p90 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.811 0.338 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -63.61 -43.67 96.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.69 -28.94 67.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.92 -50.3 56.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -37.21 73.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -69.55 -35.23 75.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -70.02 -45.3 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.2 m -66.57 -38.81 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.63 -50.02 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.85 -46.45 89.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 95.7 m -64.83 -43.6 92.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.88 93.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.67 -35.66 79.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.11 -48.41 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -34.47 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.98 79.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -70.63 -36.84 73.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -61.06 -27.16 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.88 -37.54 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -58.81 -38.06 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -28.47 62.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -39.46 37.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.4 -36.91 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.4 t -70.04 -32.94 71.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.42 -39.3 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 19.2 p -69.08 -42.45 76.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 97.1 m -66.16 -49.09 68.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -24.99 62.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.788 0.245 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -92.38 132.51 31.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -49.32 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -115.28 -151.96 10.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.16 152.8 40.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.739 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -51.51 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 4.0 m -124.04 120.75 33.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.11 -53.16 49.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -58.63 -48.1 82.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -51.47 -35.95 42.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.23 -47.09 69.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.01 -53.38 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.97 -29.09 70.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -70.77 -36.98 73.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.48 -44.56 15.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -57.64 -36.2 71.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -71.61 -30.6 65.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.17 -46.7 95.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 79.3 p -59.55 -37.21 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.29 -43.98 76.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -60.82 -31.99 71.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 17.3 mt -72.06 -37.99 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -34.53 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.22 -35.85 78.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -38.11 72.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.3 -49.23 61.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -60.6 -37.42 81.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.45 73.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.22 -49.14 46.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.97 -25.72 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -91.01 9.04 32.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 56.58 61.37 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -129.51 63.61 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -54.78 -31.59 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -69.41 -27.92 65.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -6.12 49.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -71.07 -34.79 71.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.536 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -56.4 -57.12 25.07 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.623 0.725 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.1 Cg_endo -69.78 -44.31 2.14 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.624 2.216 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 28.3 m -59.98 -33.3 71.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 58.5 m -75.71 -35.06 60.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -65.55 -48.31 72.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -35.77 71.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 53.3 mt -68.62 -37.05 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -64.36 -36.2 83.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.0 -49.97 74.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.46 -36.07 81.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 99.2 t -68.92 -51.61 42.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 58.8 m -66.99 -42.03 85.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.71 -37.84 83.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 2.6 ttp -65.2 -50.2 66.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -67.48 -36.98 82.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 44.0 t -55.94 -37.42 68.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.61 -20.78 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -102.77 154.49 37.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.655 0.74 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.23 61.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -14.14 51.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -126.75 88.92 53.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 160.25 50.4 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -113.41 1.28 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 1.1 tp -99.67 137.99 37.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.648 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.5 mt-10 -61.82 -51.07 78.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.674 0.749 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.81 -29.59 23.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 19.9 t -66.26 -36.24 76.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -65.82 -46.17 79.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 63.3 m -74.49 -40.37 61.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 79.7 p -59.31 -33.37 71.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -29.17 68.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 6.3 mtp85 -72.64 -48.38 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.0 pp -72.67 -42.22 64.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 3.1 tp -55.88 -51.44 67.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -65.38 -38.11 89.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.74 -33.3 75.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.31 -40.03 92.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.818 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -73.02 -42.07 63.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.97 -46.13 82.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -59.9 -46.16 90.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -37.46 79.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -44.1 76.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 33.9 t -66.25 -37.96 86.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -67.51 -49.29 64.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 10.9 p -69.13 -26.82 65.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -48.75 73.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.3 76.05 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 53.1 p -107.14 -175.59 2.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 111.138 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 51.0 p90 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.8 0.333 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -54.83 -41.53 70.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.21 -34.31 63.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.95 -51.17 71.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.64 -36.48 82.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -34.99 75.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -70.21 -45.49 66.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.9 m -66.49 -38.84 82.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.0 mt -65.0 -49.75 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -58.6 -46.42 87.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 83.9 m -63.7 -47.98 78.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.87 98.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -67.32 -35.67 79.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -68.83 -48.23 64.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -34.61 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.18 79.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -41.73 94.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.98 -27.07 68.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -69.06 -38.2 78.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -58.96 -37.99 78.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -72.9 -28.37 62.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.53 -39.62 37.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.1 p -71.28 -37.01 64.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.2 t -69.82 -32.65 71.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.1 mm -66.39 -38.84 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 18.4 p -67.89 -43.37 79.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.2 m -66.21 -49.04 68.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -23.39 62.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.773 0.239 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -88.61 127.83 54.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.2 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -131.35 51.88 0.84 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.545 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 64.33 152.53 0.12 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.728 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 -51.79 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 5.3 m -124.07 120.96 33.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.29 -53.13 48.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -58.29 -48.2 81.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -51.58 -36.42 45.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.32 -46.78 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.47 -52.75 48.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.17 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -71.0 -36.04 72.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.75 -44.27 17.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -57.74 -36.72 72.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -71.76 -30.82 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 66.3 t -63.89 -46.24 94.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 82.0 p -59.42 -36.5 76.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.42 -44.11 75.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -60.87 -31.69 71.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 18.1 mt -71.87 -37.75 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -33.2 67.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.0 -37.6 80.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -38.55 73.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.43 -48.98 65.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -61.61 -37.43 83.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.05 -33.47 75.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.98 -49.08 49.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -62.55 -32.85 73.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -88.06 -2.91 58.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 62.02 76.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -134.42 69.31 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -56.04 -30.72 62.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.49 -22.71 61.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 679' ' ' SER . . . . . 0.423 ' C ' ' HD2' ' A' ' 682' ' ' PRO . 3.4 t -92.3 -4.77 53.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -71.57 -30.93 66.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.566 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.4 t -62.57 -55.54 38.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.77 -41.4 4.3 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 12.9 m -58.5 -41.32 85.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 1.5 t -74.86 -32.38 61.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -69.91 -47.66 61.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -58.21 -33.42 69.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 53.8 mt -68.46 -37.66 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -65.43 -36.95 85.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.802 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.84 -46.1 81.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -63.35 -36.59 84.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.62 -51.34 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 37.3 m -67.05 -43.89 81.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.14 -39.89 83.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -50.85 64.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -57.59 -36.59 71.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.02 -31.08 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -27.57 65.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -74.06 154.78 88.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.688 0.756 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 178.13 4.83 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.74 2.294 . . . . 0.0 112.341 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -13.26 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -161.23 117.05 1.34 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 157.5 60.29 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -110.82 0.09 17.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.72 138.6 36.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.641 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.3 mt-10 -62.43 -51.68 71.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.661 0.743 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.1 Cg_endo -69.77 -28.51 25.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.7 -34.55 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -65.47 -46.91 77.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 21.3 m -75.93 -38.62 57.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 33.1 t -59.11 -30.09 67.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.02 -30.26 63.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -72.34 -48.29 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.3 pp -70.79 -40.21 72.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 4.6 tp -56.06 -51.06 69.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -41.25 94.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.28 -33.78 76.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -48.07 82.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.95 69.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -72.11 -46.01 58.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -45.54 94.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -39.29 85.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -47.1 80.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -39.0 89.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -69.15 -49.12 59.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 7.4 m -69.07 -27.93 66.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -59.09 -36.79 75.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -99.73 70.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.8 p -101.08 -179.48 4.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.645 0.736 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 52.4 p90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.07 -49.64 42.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 2.9 tp -61.85 -27.63 68.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.65 -39.8 81.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.91 -35.93 67.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -70.01 -34.53 73.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -70.88 -45.28 64.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.9 -39.04 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 56.0 mt -66.15 -50.5 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -62.88 -44.23 96.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 59.5 m -66.38 -48.44 70.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -58.87 -47.0 86.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -68.15 -35.07 77.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.77 -49.55 72.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -34.89 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.52 -44.15 79.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -65.72 -39.94 91.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.92 67.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.23 -33.03 71.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -58.7 -38.52 78.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.92 -28.42 62.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.65 -39.77 36.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.07 -36.68 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.7 t -70.48 -33.54 71.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.6 mm -66.79 -38.75 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 20.7 p -68.96 -41.11 78.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 91.4 m -65.85 -49.14 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -63.35 -34.18 77.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.779 0.241 . . . . 0.0 112.371 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.3 137.59 20.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.578 0.704 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -110.59 -144.49 10.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.3 152.51 44.54 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.71 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.58 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.709 2.272 . . . . 0.0 112.351 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 4.6 m -123.66 120.5 32.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.61 -53.24 44.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.88 -47.92 81.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -51.5 -37.2 48.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 92.4 t -69.12 -47.11 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.79 -52.53 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.6 pp -64.79 -30.37 71.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -71.06 -36.73 72.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.16 -44.37 16.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.75 -36.45 72.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -71.79 -30.97 66.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.94 -44.71 98.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 66.4 p -61.28 -36.99 81.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.38 -43.72 76.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -60.64 -34.28 74.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 16.3 mt -69.41 -40.4 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -56.62 -34.67 67.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -61.32 -36.21 79.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -38.02 71.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 22.2 mt -69.44 -49.26 56.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.38 -37.27 80.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.49 -31.26 72.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.57 -49.34 41.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -63.78 -20.21 65.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -94.47 7.23 46.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 58.47 55.47 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -123.71 81.11 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -64.69 -38.06 89.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -69.24 -25.28 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 20.1 m -70.98 -13.5 62.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -71.55 -35.67 70.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.529 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -54.73 -57.41 19.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.612 0.72 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.0 Cg_endo -69.75 -44.45 2.08 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.5 m -60.05 -33.35 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 7.9 m -74.79 -32.72 62.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.91 -46.99 64.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -58.2 -34.82 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 51.0 mt -69.18 -37.84 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -63.35 -36.1 82.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.2 mt -56.45 -49.1 75.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -63.18 -36.72 84.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 99.7 t -67.68 -51.65 48.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 68.0 m -67.3 -44.34 79.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.65 -38.33 81.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -50.0 67.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.7 75.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 37.4 t -55.8 -37.52 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -20.84 65.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -89.5 155.83 48.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.711 0.767 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.71 26.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -29.88 14.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -147.59 121.82 5.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 165.2 31.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.639 2.226 . . . . 0.0 112.351 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -120.32 25.05 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.58 141.81 51.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.606 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.1 mp0 -61.86 -53.17 62.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.656 0.741 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.81 -34.48 14.33 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.223 . . . . 0.0 112.328 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.23 -36.81 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -65.09 -46.2 82.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -42.09 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 1.2 t -59.64 -38.38 81.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.825 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 5.0 tp -76.02 -29.09 58.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -72.71 -40.03 66.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.1 pp -76.01 -32.84 59.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 10.5 tp -59.34 -51.21 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -65.23 -38.96 92.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.2 -33.75 76.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -37.56 84.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -72.68 -37.82 67.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -64.96 -46.0 83.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -63.67 -46.16 86.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -38.42 82.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -39.98 73.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 28.6 t -66.14 -37.84 86.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -66.94 -49.43 65.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 11.5 p -69.18 -26.79 65.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -48.81 74.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.69 76.19 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 52.2 p -105.38 -176.0 2.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 111.113 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 16.2 p90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.855 0.359 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -65.25 -43.08 92.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.01 -35.53 64.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.03 -50.86 72.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 4.6 m -59.68 -34.23 72.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -69.36 -35.32 75.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -69.57 -45.15 69.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.0 m -67.47 -38.74 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 58.5 mt -67.19 -50.07 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -60.23 -46.18 90.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 2.9 t -62.18 -48.18 81.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -61.6 -41.79 97.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -67.63 -35.68 79.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -68.74 -48.08 64.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -34.48 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.24 -43.86 80.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -73.47 -34.26 65.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -63.01 -26.97 69.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -73.82 -26.13 60.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.86 -37.95 77.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -72.93 -28.25 62.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 2.1 tt -78.69 -39.53 36.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.1 p -71.41 -36.84 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.2 t -69.86 -32.35 70.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.1 mm -66.17 -38.98 83.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 28.9 p -68.58 -42.77 77.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.9 m -66.23 -48.89 69.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -24.32 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.938 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.776 0.24 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -96.59 136.34 21.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -49.2 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.372 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -111.76 -146.15 10.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.94 152.38 39.59 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.293 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.04 120.56 32.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.8 m -65.71 -53.26 43.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -58.7 -48.25 81.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.52 -36.45 44.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 81.4 t -69.03 -47.0 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.61 -52.88 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.46 -30.75 71.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -70.39 -37.01 74.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.83 -44.07 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.118 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.78 -36.93 72.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -71.73 -30.69 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 66.2 t -63.88 -46.93 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 81.4 p -58.87 -36.06 74.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.23 -44.53 75.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -60.59 -36.74 79.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 12.0 mt -66.46 -40.2 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -55.96 -34.19 65.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.49 -39.26 90.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -39.13 73.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 23.8 mt -69.9 -49.15 54.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -61.19 -37.09 81.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.06 65.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.99 -49.08 49.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -67.91 -27.75 66.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -89.23 8.98 27.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 51.61 69.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -128.34 76.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -61.09 -35.63 77.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -71.27 -22.29 61.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 679' ' ' SER . . . . . 0.407 ' C ' ' HD2' ' A' ' 682' ' ' PRO . 68.2 m -85.5 -9.85 56.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -71.71 -30.88 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.557 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -61.83 -56.17 34.74 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.644 0.735 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.9 Cg_endo -69.74 -41.47 4.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 12.8 m -58.43 -35.28 71.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.78 -32.63 59.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.32 -47.64 60.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -57.91 -37.21 73.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 58.8 mt -67.17 -37.47 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -63.67 -36.68 84.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.03 -48.13 79.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.61 84.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 89.1 t -67.35 -51.87 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 87.8 m -67.37 -43.85 80.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.41 -44.27 95.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -49.93 68.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.39 80.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 1.6 t -55.88 -36.77 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . 0.405 ' HG ' ' CD1' ' A' ' 698' ' ' PHE . 0.5 OUTLIER -64.12 -22.86 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . 0.405 ' CD1' ' HG ' ' A' ' 697' ' ' LEU . 47.1 m-85 -85.56 149.17 50.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 154.52 67.75 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.658 2.238 . . . . 0.0 112.318 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -17.11 55.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.52 88.47 12.55 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.696 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 156.46 63.33 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.682 2.255 . . . . 0.0 112.394 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -111.6 21.63 15.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.03 136.43 53.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.647 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 8.1 mt-10 -61.99 -51.41 75.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.682 0.754 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.7 Cg_endo -69.81 -27.88 25.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.635 2.224 . . . . 0.0 112.342 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 18.4 t -67.97 -38.22 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -66.05 -44.08 85.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -40.58 59.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 97.6 p -59.22 -31.54 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -27.8 58.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -73.07 -40.39 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.83 -32.64 59.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 3.2 tp -66.4 -51.33 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -62.96 -44.13 96.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.81 76.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -48.0 82.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -66.94 -29.86 69.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -73.12 -36.84 66.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -72.04 -45.43 60.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.15 -39.19 85.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.01 -47.15 78.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 3.1 m -66.59 -37.79 85.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -69.01 -49.53 56.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 20.0 m -69.1 -32.26 71.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -53.86 -36.86 63.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -100.39 69.9 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.7 p -94.89 -177.85 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 111.097 179.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 2.0 p90 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -68.42 -43.83 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.89 -27.97 61.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.08 -50.97 72.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -37.59 78.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -69.05 -34.85 75.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -70.14 -45.03 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.7 m -67.72 -38.92 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 45.9 mt -63.57 -47.77 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -62.11 -44.58 96.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 95.4 m -66.58 -47.59 72.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.39 98.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.55 -35.97 80.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.1 -48.2 58.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -34.73 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -68.22 -44.68 75.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -74.41 -34.33 63.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.58 68.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.05 63.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -58.71 -38.43 78.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.97 -28.5 62.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.65 -39.6 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.28 -36.74 62.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.7 t -70.31 -33.5 71.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.66 -39.86 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 21.3 p -69.06 -40.75 78.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 94.5 m -65.73 -46.19 79.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -68.57 -20.88 64.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.756 0.232 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.37 137.2 21.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 -49.13 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -105.12 -133.96 7.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.45 155.35 80.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -51.66 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 1.8 m -123.93 119.99 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 5.1 m -66.42 -53.24 37.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.64 -48.3 79.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.9 -37.04 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 90.9 t -69.77 -46.72 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.7 -52.95 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.41 -30.69 71.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -70.32 -36.31 74.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -44.17 16.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -57.78 -36.63 72.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -71.65 -30.65 65.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 73.6 t -63.34 -45.43 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 77.8 p -60.91 -37.59 82.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.22 -43.61 77.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -60.8 -34.34 74.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 16.2 mt -68.85 -37.82 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.18 -34.07 74.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -60.95 -37.59 82.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -37.87 73.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.66 -49.03 67.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -61.17 -37.57 83.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.76 -33.32 75.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.42 -49.03 53.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.051 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -65.04 -25.27 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -97.09 8.35 44.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 51.45 74.47 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -130.8 66.8 1.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -55.6 -33.11 63.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.33 -22.41 61.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 61.3 m -90.3 -6.21 55.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -71.97 -31.0 65.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.553 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -61.27 -56.3 35.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.595 0.712 . . . . 0.0 111.095 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.77 -44.32 2.14 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 28.6 m -58.52 -39.76 81.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 12.7 t -74.76 -32.27 62.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -71.17 -47.07 59.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -57.7 -33.28 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 50.0 mt -68.21 -37.46 78.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -65.79 -37.17 85.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.04 -46.16 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.45 83.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 84.3 t -69.51 -51.36 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 87.0 m -66.37 -42.7 87.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.89 -39.21 80.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 1.3 ttm -65.23 -49.77 68.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.02 -36.11 80.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 8.1 t -55.55 -35.92 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -21.1 66.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -87.27 158.72 51.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.689 0.757 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 168.6 21.17 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.623 2.215 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -26.14 8.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -151.71 121.37 3.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 165.96 29.19 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.266 . . . . 0.0 112.371 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -120.97 23.67 10.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 1.2 tp -122.27 139.02 54.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.635 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 2.4 mm-40 -61.32 -51.75 75.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.74 -29.67 23.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.31 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.3 t -67.19 -38.01 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -45.98 82.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.1 m -73.52 -41.53 62.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 84.9 p -59.48 -29.04 67.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.1 tp -75.75 -27.74 58.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -72.88 -40.57 65.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.93 -32.86 59.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 6.4 tp -67.23 -51.26 55.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -63.92 -45.79 87.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.98 -33.81 76.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -48.04 82.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -72.87 -34.42 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -66.68 -38.48 86.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -44.67 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -44.55 97.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -64.46 -44.77 90.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.972 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 12.9 m -66.23 -41.28 90.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -68.99 -49.24 59.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 17.0 m -68.25 -27.32 66.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -53.62 -36.8 62.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -99.21 34.91 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.21 -178.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 111.13 179.908 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 51.1 p90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -54.93 -54.22 45.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.51 -27.72 69.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 2.3 tp -58.69 -51.05 71.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 2.2 m -60.77 -37.44 81.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -34.82 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -70.39 -44.83 67.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 23.5 m -67.46 -38.93 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 53.0 mt -65.49 -49.84 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -62.22 -46.01 90.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 61.7 m -65.56 -43.66 89.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.86 94.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -67.32 -36.02 80.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -48.54 59.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -34.39 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.48 84.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -63.87 -38.44 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.96 -26.92 67.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -63.25 -38.58 91.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -66.69 -39.63 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -74.11 -31.4 62.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 7.1 tp -78.83 -37.56 40.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.0 p -73.27 -32.32 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.1 t -77.15 -35.46 56.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.69 -38.74 82.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 61.4 p -67.62 -43.46 80.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 95.7 m -66.26 -49.1 68.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -22.77 61.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.802 0.251 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -101.25 137.94 19.81 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.61 0.719 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.744 2.296 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -111.06 -150.14 11.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.52 152.08 43.74 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.599 0.714 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -50.52 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.319 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.59 121.54 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.7 m -65.26 -52.55 53.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -57.94 -47.01 84.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -51.87 -36.35 48.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 90.1 t -70.06 -47.0 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.41 -53.46 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.61 -29.18 70.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.978 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -70.6 -36.88 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.63 -44.51 15.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -58.05 -36.27 72.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -71.59 -31.15 66.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 70.3 t -63.06 -45.82 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 75.4 p -60.04 -37.01 78.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -68.41 -43.09 77.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -60.75 -35.71 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 15.8 mt -68.45 -39.86 81.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -55.85 -34.61 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.48 -38.34 86.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.45 -38.96 71.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.0 -49.13 54.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -60.07 -36.87 78.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.16 75.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.1 65.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.97 -29.93 70.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -92.65 8.15 40.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 51.6 75.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -131.48 67.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -55.8 -32.79 63.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -22.44 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 62.3 m -91.03 -5.61 55.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -71.96 -35.2 69.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.556 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -56.87 -56.32 34.38 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.637 0.732 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.3 Cg_endo -69.74 -43.3 2.76 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 14.9 m -58.2 -38.18 76.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 2.2 t -75.26 -32.44 61.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.7 -47.11 49.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -57.61 -34.64 69.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 59.3 mt -67.67 -37.4 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -65.38 -37.22 86.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.5 mt -57.37 -47.13 82.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.3 -36.29 81.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 89.9 t -71.05 -51.48 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 92.9 m -65.45 -41.31 93.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.78 -36.44 74.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -50.08 67.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -54.06 -36.99 63.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.053 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 40.2 t -55.68 -37.94 68.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -20.88 65.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -93.72 155.9 40.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.737 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 177.07 5.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.294 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -31.32 13.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.38 130.3 6.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 159.03 54.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -111.39 16.4 20.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.98 140.88 48.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.612 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 15.9 mt-10 -62.47 -52.89 62.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.6 Cg_endo -69.71 -34.94 13.73 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.318 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.02 -34.84 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -65.22 -46.09 82.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 9.5 m -73.04 -40.72 64.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 2.6 t -59.4 -39.1 82.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.44 -28.42 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -39.73 66.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.85 -32.72 59.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.58 -50.99 67.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -43.21 93.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.93 -34.01 76.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 47.3 m -63.42 -47.88 80.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -69.64 -29.96 67.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -45.27 81.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -68.55 -41.21 80.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -40.68 89.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -45.46 85.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.62 -39.53 88.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -69.24 -49.48 55.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 13.9 m -69.21 -27.51 65.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -53.72 -36.77 62.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -103.65 70.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 4.9 p -88.81 -177.68 5.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.589 0.709 . . . . 0.0 111.18 179.876 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 52.8 p90 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -54.87 -41.78 71.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.2 -29.6 61.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -49.07 79.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -38.12 75.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -69.12 -35.02 75.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -70.2 -44.97 67.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 24.4 m -67.73 -38.79 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.47 -49.37 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -62.18 -46.0 90.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 78.0 m -65.58 -47.54 75.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.23 99.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -67.54 -35.73 79.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.32 -48.3 61.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.852 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -34.72 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.44 -44.16 79.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -66.85 -39.24 87.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.84 -27.49 68.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.31 95.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -58.77 -38.14 77.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -73.07 -28.43 62.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.63 -39.16 37.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.8 -36.69 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.0 t -70.18 -32.6 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.34 -42.46 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 66.6 p -66.32 -42.68 87.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 92.2 m -66.07 -49.04 69.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -67.13 -32.88 74.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.23 0.125 0 CA-C-O 120.777 0.24 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.92 137.08 20.89 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.619 0.723 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -49.05 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.281 . . . . 0.0 112.33 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -107.04 -145.76 12.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.41 157.85 41.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.96 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.731 2.287 . . . . 0.0 112.307 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 11.1 m -124.25 119.97 30.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.3 m -66.43 -53.58 34.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -48.89 78.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.69 -36.22 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 90.4 t -70.38 -46.86 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.63 -53.15 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.6 -29.49 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -71.17 -36.97 72.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.21 -44.32 16.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.74 -36.47 72.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -71.94 -30.6 65.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.65 -45.44 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 82.1 p -60.74 -37.02 80.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.33 -43.86 76.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -60.73 -34.93 75.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 16.8 mt -67.85 -38.56 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -58.75 -34.25 71.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -61.17 -35.98 78.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -38.23 71.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 10.4 mp -68.08 -49.32 62.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -59.29 -37.0 76.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.15 -32.71 74.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.46 -49.4 41.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -61.75 -20.04 63.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.85 11.41 39.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 53.03 64.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -128.66 82.81 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -64.67 -38.24 90.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -69.36 -23.6 63.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 36.4 m -74.88 -14.84 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -71.71 -35.32 70.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.529 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.01 -57.32 20.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.9 Cg_endo -69.78 -44.44 2.06 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.349 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.7 m -60.02 -34.5 73.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 8.3 t -74.48 -32.29 62.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.39 -47.87 62.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -58.65 -34.34 71.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.86 -37.82 77.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -63.88 -36.58 84.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.86 -49.33 75.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.66 84.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 95.4 t -67.13 -51.95 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 81.4 m -67.62 -42.41 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.54 -42.68 98.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -50.0 67.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.44 84.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 2.5 t -56.07 -36.36 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . 0.401 ' HG ' ' CD1' ' A' ' 698' ' ' PHE . 0.5 OUTLIER -63.44 -21.6 66.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . 0.401 ' CD1' ' HG ' ' A' ' 697' ' ' LEU . 47.4 m-85 -87.75 151.31 49.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 148.71 65.54 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -19.67 44.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -130.46 87.55 49.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 152.98 69.68 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.739 2.293 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -112.23 22.1 15.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.81 137.54 53.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.636 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 1.8 mt-10 -61.76 -51.96 72.27 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.632 0.729 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.7 -28.57 25.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.246 . . . . 0.0 112.356 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.66 -37.42 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -65.52 -45.52 83.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.7 m -75.11 -39.39 60.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.7 m -59.16 -28.91 67.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -27.68 58.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -73.07 -40.45 65.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.87 -32.81 59.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 3.2 tp -67.1 -51.19 57.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -64.88 -43.22 93.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.77 76.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 1.4 m -61.94 -48.12 81.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -67.27 -29.93 69.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -73.17 -45.78 54.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -62.74 -45.18 93.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -45.29 93.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -56.81 -34.72 67.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.27 -37.67 86.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -68.72 -49.32 59.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 7.3 p -65.69 -26.66 67.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -49.17 71.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.36 78.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 22.0 p -103.63 -177.24 3.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 33.3 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -71.24 -37.19 72.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.54 -33.37 75.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -41.23 86.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.43 -35.36 65.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -69.78 -35.24 74.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -69.89 -45.28 67.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.2 m -66.66 -38.88 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.071 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 59.4 mt -67.48 -50.04 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -60.46 -46.18 90.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 4.0 t -63.8 -47.99 78.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.26 93.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -67.52 -35.67 79.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.04 -48.08 63.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -34.42 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.25 -44.04 80.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -65.74 -36.68 84.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -65.74 -26.85 67.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.27 -37.77 74.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -58.9 -38.25 78.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -28.37 62.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.66 -39.38 37.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.46 -36.64 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.3 t -70.43 -33.08 70.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.63 -38.91 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 17.9 p -66.97 -41.91 86.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 39.4 m -65.29 -49.09 70.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -66.79 -28.8 68.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.138 0 CA-C-O 120.806 0.252 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -97.09 136.9 21.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.611 0.72 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -106.02 -133.8 7.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.475 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.7 154.96 79.84 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.62 0.724 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -51.65 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 4.9 m -124.18 120.32 31.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.7 m -66.18 -53.16 40.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -57.88 -48.44 79.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -51.08 -35.2 33.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.35 -47.07 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.08 -53.52 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.78 -28.97 70.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -70.8 -36.7 73.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.64 -44.58 15.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -57.46 -36.16 71.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -71.65 -30.31 65.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.83 -47.79 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 73.2 p -58.89 -35.71 73.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -68.14 -44.1 76.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -60.6 -38.5 84.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 14.3 mt -64.81 -38.24 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -56.86 -33.91 67.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -61.54 -38.29 86.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -39.79 70.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 23.4 mt -70.05 -49.6 49.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -59.11 -36.88 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.14 -31.18 70.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -69.32 -49.2 58.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -64.22 -34.42 78.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -85.13 -3.71 58.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 61.85 75.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -134.45 69.13 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -56.32 -30.4 62.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.49 -22.47 61.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 679' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 682' ' ' PRO . 1.7 t -91.31 -6.2 53.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -71.16 -34.47 71.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.562 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.4 t -59.25 -55.73 43.28 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.648 0.737 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.8 Cg_endo -69.81 -40.25 5.47 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 6.9 m -58.54 -34.47 71.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -32.87 58.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -69.33 -47.83 63.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -57.53 -37.03 72.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 58.7 mt -67.3 -37.05 78.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -64.53 -36.87 85.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.96 -47.66 80.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.35 83.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 92.9 t -68.6 -51.44 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 57.0 m -67.08 -43.57 82.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.83 -38.38 78.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -49.79 68.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.02 82.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 9.4 t -55.4 -38.2 68.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.97 -20.77 65.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -89.81 158.12 45.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.731 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 169.6 18.58 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -25.34 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.38 120.3 3.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 165.38 31.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -120.72 25.04 9.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.48 140.11 53.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.619 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 0.9 OUTLIER -61.49 -52.8 67.41 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.8 Cg_endo -69.78 -29.07 24.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 34.6 t -67.38 -37.21 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -45.93 83.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 17.4 m -74.25 -42.05 60.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 77.9 p -60.18 -38.2 82.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.831 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.09 -29.1 57.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.58 -39.9 67.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.1 pp -76.08 -32.71 59.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.73 -51.1 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -64.53 -38.61 91.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.95 76.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -37.4 84.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -71.88 -36.74 70.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.89 -46.16 82.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -63.82 -46.12 86.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -38.14 82.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -47.47 80.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 38.1 m -66.9 -44.44 80.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -60.54 -49.89 75.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 10.2 m -69.63 -35.22 75.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -53.67 -36.78 62.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -97.8 66.89 1.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.14 177.23 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 111.163 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 53.6 p90 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.779 0.323 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -50.95 29.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -28.91 69.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -47.75 84.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 37.3 m -58.21 -37.61 75.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -35.07 75.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -70.1 -45.09 67.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.5 m -67.33 -38.86 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 52.0 mt -64.03 -45.77 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.209 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -62.19 -46.07 90.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.97 -46.66 73.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.89 99.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -67.37 -35.88 80.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.27 -48.42 65.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -34.95 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.21 78.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.087 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -68.23 -38.98 82.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.81 -27.1 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.89 -38.67 73.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -58.8 -38.26 78.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.05 -28.46 62.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -39.3 37.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.57 -36.54 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.6 t -70.56 -33.49 71.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.62 -38.75 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 20.5 p -67.75 -43.52 79.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 97.2 m -66.16 -49.08 68.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -23.5 62.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.163 0 CA-C-O 120.797 0.249 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -98.39 136.98 20.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -118.14 -140.88 6.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.65 152.22 42.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 0.0 110.913 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -51.79 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 4.7 m -124.29 121.54 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.01 -53.18 50.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -58.5 -48.04 82.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -51.76 -36.44 47.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 93.3 t -68.97 -47.19 77.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.77 -52.73 50.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.75 -30.12 71.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -70.99 -36.78 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.16 -44.45 16.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -57.71 -36.35 71.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -71.73 -30.62 65.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.58 -47.25 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 79.1 p -58.79 -36.04 73.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.19 -44.93 74.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -60.59 -32.78 71.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 12.7 mt -72.03 -37.97 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -34.33 71.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.38 -35.7 78.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -38.39 72.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.62 -49.13 64.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -60.69 -37.38 81.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.62 -31.77 72.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.29 44.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.83 -23.26 67.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -94.66 10.34 35.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 51.52 64.79 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -128.59 84.8 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -64.86 -38.56 91.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -69.35 -23.05 63.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 36.8 m -75.52 -15.02 60.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -71.77 -35.19 69.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.53 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.06 -57.28 20.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.8 -44.49 2.02 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 23.9 m -59.92 -34.26 72.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 8.7 t -75.25 -32.3 61.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.53 -47.7 59.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -58.14 -37.5 74.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 56.4 mt -66.34 -37.5 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -63.95 -37.05 85.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -57.7 -49.91 74.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.61 83.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.48 -51.54 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 92.7 m -67.04 -43.14 83.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.32 -37.46 77.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 2.3 ttp -65.16 -49.88 68.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -67.51 -36.4 80.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 1.1 m -55.33 -39.4 69.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.65 -20.58 64.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -101.98 154.34 37.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 156.56 63.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -14.43 60.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.73 84.22 39.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.54 0.686 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 162.29 42.63 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -109.27 18.21 20.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.61 135.17 52.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.653 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.1 mt-10 -62.32 -51.02 76.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.729 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.3 Cg_endo -69.72 -29.17 24.48 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.39 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 17.7 t -66.31 -37.55 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -66.22 -45.98 78.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 2.7 m -75.03 -35.24 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.814 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 15.7 m -59.61 -32.3 70.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -27.45 60.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -59.84 -54.62 44.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -76.9 -32.08 57.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 68.0 tp -60.38 -51.5 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -65.64 -44.42 86.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.92 -33.39 75.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -48.04 82.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.02 67.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.55 -35.2 60.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -71.36 -42.47 68.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.86 -39.16 84.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -62.3 -39.67 93.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -37.6 85.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -68.09 -49.52 60.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 9.0 p -66.39 -26.68 67.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -65.32 -36.95 85.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.32 73.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 21.6 p -115.19 -177.85 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 111.138 179.84 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 17.8 p90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -68.38 -54.53 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.01 -27.84 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.86 -50.07 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -36.78 73.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -70.11 -34.91 73.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -70.55 -45.91 64.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 20.1 m -64.79 -38.81 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 54.1 mt -65.54 -48.31 83.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.154 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -59.55 -46.34 89.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 95.0 m -62.94 -45.18 93.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.81 94.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -67.85 -35.59 78.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -70.34 -48.35 56.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -34.29 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.79 83.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -64.57 -35.34 80.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -64.09 -37.85 88.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -58.79 -38.52 78.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -72.92 -28.13 62.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.79 -39.61 35.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.03 -36.87 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.5 t -70.09 -33.15 71.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.77 -38.94 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 17.8 p -67.28 -40.85 86.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 60.4 m -65.97 -49.19 68.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -65.88 -21.05 66.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.831 0.263 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -98.02 137.54 20.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 110.838 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.27 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -109.56 -144.53 10.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.13 151.5 43.68 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.592 0.71 . . . . 0.0 110.905 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 -51.05 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 1.2 m -123.86 120.77 33.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.24 -53.33 46.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -58.2 -47.79 82.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -51.87 -36.48 48.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.1 -47.12 76.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.93 -52.88 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.3 -30.17 71.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -70.77 -36.67 73.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.34 -44.41 16.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.95 -36.2 72.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -71.5 -30.58 66.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.97 -46.05 95.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 72.9 p -60.16 -35.67 75.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -67.77 -44.93 76.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -60.57 -36.7 79.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 12.6 mt -66.89 -39.23 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -56.49 -34.01 66.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -61.61 -38.15 86.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -40.16 69.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 22.9 mt -69.86 -49.57 51.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -58.85 -36.79 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.25 -31.13 70.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -67.93 -49.07 63.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.66 -36.46 83.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -81.94 -4.25 56.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 61.83 74.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -133.85 68.6 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -56.23 -30.24 62.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -71.54 -22.49 61.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 679' ' ' SER . . . . . 0.406 ' C ' ' HD2' ' A' ' 682' ' ' PRO . 1.5 t -90.73 -6.8 53.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -71.07 -34.58 71.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.559 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.4 t -59.08 -55.82 42.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.095 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.6 Cg_endo -69.75 -40.61 5.13 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.677 2.252 . . . . 0.0 112.325 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 7.5 m -58.32 -33.6 69.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -33.03 59.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.95 -47.52 62.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -57.47 -37.23 72.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 58.6 mt -67.34 -37.26 78.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.145 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -64.13 -36.62 84.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.6 -48.56 77.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.49 83.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 98.3 t -68.1 -51.66 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 60.5 m -67.23 -44.25 79.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.98 -36.42 74.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -49.69 69.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.07 80.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 40.8 t -55.52 -36.29 66.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -20.69 66.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -88.33 158.27 49.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.64 0.733 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 172.59 12.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.258 . . . . 0.0 112.363 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -22.81 20.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -156.56 122.34 2.5 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.631 0.729 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 162.56 41.59 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.255 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -119.53 25.03 10.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 1.5 mt -125.77 140.38 52.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.617 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 1.3 mt-10 -61.44 -52.81 67.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.655 0.741 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.7 Cg_endo -69.75 -28.86 24.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 35.3 t -67.63 -38.08 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -64.92 -46.03 83.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.49 -42.03 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 57.3 m -60.02 -38.38 82.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 3.8 tt -76.02 -29.06 57.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.64 -40.04 66.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.95 -32.64 59.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.73 -50.59 72.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -38.24 90.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.08 -33.78 76.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -36.31 80.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.816 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.09 68.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.052 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.9 -46.03 83.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -64.02 -46.16 85.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -38.11 81.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -47.44 81.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 31.1 t -66.76 -44.82 80.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -60.51 -49.57 77.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 10.5 m -69.47 -35.9 76.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -36.75 63.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -101.64 54.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.36 179.7 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.728 . . . . 0.0 111.122 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 46.4 p90 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.807 0.336 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -56.65 -49.33 75.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.95 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.53 -28.03 62.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.99 -49.91 76.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 1.1 m -57.93 -37.64 74.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -69.44 -35.01 75.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -70.34 -45.22 66.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.5 m -66.78 -38.92 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 47.2 mt -63.62 -45.45 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -62.19 -45.19 94.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 2.4 t -67.05 -46.65 73.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.79 98.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -67.43 -35.6 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -68.67 -48.19 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -34.77 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.44 -44.12 79.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -63.97 -33.45 75.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.88 -27.01 67.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.02 -31.53 69.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -66.4 -39.44 89.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -74.04 -31.31 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 1.3 tt -78.78 -37.71 40.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.21 -32.21 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.1 t -77.17 -35.14 56.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.56 -39.16 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 42.3 p -69.13 -40.99 77.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 88.6 m -65.75 -49.15 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -63.19 -33.32 75.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.767 0.236 . . . . 0.0 112.352 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.45 136.95 20.67 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.579 0.704 . . . . 0.0 110.933 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -48.95 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.296 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -108.07 -132.42 6.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.77 156.76 68.0 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -52.12 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 2.7 m -124.14 120.24 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.5 m -66.16 -53.3 39.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -58.03 -48.46 80.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.78 -36.5 37.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 89.5 t -70.11 -46.81 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.03 -53.38 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.34 -29.56 70.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -69.74 -37.26 76.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.27 -44.02 16.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -57.74 -36.7 72.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -71.63 -30.52 65.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.95 -46.78 95.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 69.0 p -59.53 -37.15 77.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -68.37 -43.09 78.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -60.84 -36.44 79.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 15.9 mt -67.13 -38.19 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -33.56 67.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -60.36 -37.36 80.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -39.14 72.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.29 -49.55 59.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -60.31 -37.19 79.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.34 -31.73 72.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.68 -49.15 50.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -63.24 -32.3 73.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -86.84 -3.16 59.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 61.51 72.25 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -132.51 74.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -60.18 -29.72 68.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -71.45 -22.87 61.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -6.55 54.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -71.6 -39.92 70.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 681' ' ' VAL . . . . . 0.556 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -52.47 -56.31 23.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.74 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 682' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.1 Cg_endo -69.74 -43.91 2.4 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 12.3 m -57.35 -34.16 68.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 2.5 p -74.71 -44.27 50.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.06 -41.62 90.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -58.36 -36.52 73.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 46.8 mt -68.17 -37.53 78.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -62.78 -36.54 83.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.74 -50.38 72.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.45 79.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 96.8 t -67.7 -51.37 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 97.5 m -66.78 -42.91 85.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.88 -39.03 80.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 1.3 ttm -65.31 -49.63 68.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.96 82.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 11.6 t -55.27 -35.93 65.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.95 -21.72 66.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -87.5 154.18 53.61 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.679 0.752 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.18 66.45 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -20.93 31.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.05 88.72 30.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.62 0.724 . . . . 0.0 110.823 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 158.81 55.67 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.754 2.303 . . . . 0.0 112.315 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -109.84 11.24 24.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.83 136.17 45.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 705' ' ' GLU . . . . . 0.644 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 0.8 OUTLIER -62.26 -51.4 74.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.63 0.728 . . . . 0.0 110.868 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 706' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.79 -28.2 25.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 18.1 t -67.48 -36.01 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -46.44 78.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 14.9 m -75.36 -37.9 60.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 4.8 m -59.12 -35.0 72.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.61 -29.53 68.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -72.98 -48.58 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.0 pp -72.13 -42.12 66.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 21.1 tp -58.48 -51.1 71.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -65.13 -41.38 94.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.61 -33.77 76.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -46.87 87.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.41 98.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -41.01 77.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 39.1 mtt85 -64.69 -42.98 94.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.22 -48.67 69.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -34.93 79.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 4.9 m -66.39 -37.82 86.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -68.96 -49.14 60.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 40.4 m -62.85 -27.75 69.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.59 -36.88 62.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -96.04 53.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 1.1 p -91.88 179.13 5.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 111.13 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 55.8 p90 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.871 0.367 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -59.74 -51.03 71.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.03 -27.59 68.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.72 -47.32 84.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 27.0 m -57.95 -37.61 74.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -69.69 -34.88 74.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -70.4 -45.08 66.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.1 m -66.73 -38.62 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 47.6 mt -63.68 -44.92 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.09 -46.65 88.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 85.3 m -67.62 -42.19 82.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.12 -42.29 94.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.43 -35.89 80.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -69.95 -48.5 58.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -34.69 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.6 -44.12 78.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -32.01 65.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.88 -29.03 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.79 -30.9 70.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -58.82 -38.34 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.35 -29.36 62.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -39.38 38.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.38 -35.68 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.1 t -72.21 -34.8 68.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.0 mm -66.77 -40.54 86.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 74.2 p -69.01 -41.59 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 91.5 m -65.38 -49.01 70.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -65.45 -32.65 74.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.902 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.845 0.355 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.01 -61.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 153.34 -121.94 1.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.69 160.61 2.68 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.564 0.697 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 152.12 69.24 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.31 135.51 24.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.572 0.701 . . . . 0.0 110.867 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -49.11 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.724 2.283 . . . . 0.0 112.329 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -113.82 -148.85 10.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.37 152.69 39.32 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.651 0.739 . . . . 0.0 110.912 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.267 . . . . 0.0 112.369 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 5.1 m -123.78 120.61 33.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.43 -53.35 44.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -58.43 -48.41 80.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -51.39 -36.68 44.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 85.4 t -69.2 -47.25 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.46 -52.94 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.37 -29.93 70.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -70.93 -36.75 72.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.42 -44.42 16.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -57.78 -36.36 72.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -71.8 -30.92 66.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.76 -45.05 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 68.3 p -60.86 -37.66 82.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.35 -43.06 78.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -60.97 -34.45 74.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 16.5 mt -69.31 -39.92 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -55.79 -34.43 65.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -61.29 -38.97 88.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -38.41 72.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 24.1 mt -70.04 -49.16 54.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -60.44 -37.1 79.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.26 -29.03 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.13 -48.98 48.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -64.21 -26.49 68.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -95.46 7.84 45.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 51.76 73.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -128.85 66.0 1.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -55.59 -33.44 63.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -71.41 -22.24 61.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 75.5 m -91.21 -5.27 55.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -72.08 -36.55 69.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.553 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.72 -56.15 33.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.749 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.0 Cg_endo -69.76 -42.63 3.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.645 2.23 . . . . 0.0 112.334 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 10.9 m -58.24 -38.96 77.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 1.4 t -75.02 -32.34 61.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.15 -47.53 64.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -58.3 -33.53 69.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 66.3 mt -68.75 -37.77 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -64.77 -36.75 85.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.75 -46.77 81.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.59 84.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 89.5 t -68.27 -51.47 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 51.6 m -67.15 -43.54 82.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.92 -42.64 94.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -50.1 66.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.79 79.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -36.57 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.87 -20.79 65.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -88.32 153.94 51.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.672 0.749 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.89 20.24 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.67 2.247 . . . . 0.0 112.4 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.66 -6.98 50.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.0 92.67 4.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.59 0.709 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 155.13 66.79 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -111.9 16.06 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.02 137.14 49.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.636 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 2.9 mt-10 -62.01 -51.7 73.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.635 0.731 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.78 -28.78 24.76 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 20.9 t -66.9 -37.13 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -65.91 -46.05 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 26.3 m -75.16 -36.51 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 18.4 m -58.99 -34.54 71.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.05 -29.78 67.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -72.6 -48.32 40.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.3 pp -71.74 -40.33 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.46 -51.21 69.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -64.88 -40.32 94.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -66.98 -33.83 76.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -48.15 81.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -68.72 -29.94 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -45.97 58.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -45.3 93.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -40.63 89.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -47.12 78.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 17.1 t -66.25 -38.5 88.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.14 -49.57 55.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 18.3 m -69.44 -27.8 65.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -53.79 -36.79 62.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.82 70.41 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.7 p -90.55 -177.63 5.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.861 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.4 t -119.13 65.1 7.38 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.657 0.742 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.903 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.8 Cg_endo -69.76 -25.99 28.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.903 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.9 Cg_endo -69.76 -165.31 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.385 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.443 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 1.3 pt-20 -50.25 156.33 1.45 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 54.0 Cg_endo -69.73 -15.36 37.15 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.382 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -92.09 7.56 78.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -50.99 161.84 0.65 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -37.55 9.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 44.7 t -51.05 147.91 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.73 83.01 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -51.84 -40.07 59.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -60.07 -41.95 93.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -27.82 61.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -49.66 76.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 1.3 m -57.97 -37.46 74.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -69.6 -35.0 74.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -70.23 -45.06 67.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.0 m -66.99 -38.85 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.66 -46.81 91.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -61.85 -46.11 90.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 5.6 t -66.72 -47.8 71.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -61.74 -42.2 98.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.37 -35.82 80.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.03 -48.26 63.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -34.74 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.63 -44.18 78.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -71.92 -35.23 69.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.84 -26.91 67.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.62 -32.37 65.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -58.79 -38.31 78.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -72.99 -28.48 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.51 -39.26 38.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.62 -36.49 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.2 t -70.84 -33.64 70.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.71 -38.96 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 29.3 p -68.97 -41.99 77.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 95.9 m -66.03 -49.1 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -65.15 -31.56 72.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.85 153.25 37.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.87 -35.93 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 52.7 57.82 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 179.912 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.812 0.339 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.58 164.61 14.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -108.95 141.37 15.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.02 160.48 0.12 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.834 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 152.2 69.46 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.748 2.298 . . . . 0.0 112.351 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -96.72 136.83 21.52 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.544 0.688 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.13 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.32 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -111.21 -144.71 9.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.01 152.46 44.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.572 0.701 . . . . 0.0 110.943 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 4.9 m -123.46 120.57 33.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.7 m -65.7 -52.49 50.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.68 -48.26 80.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -51.1 -37.09 43.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.28 -46.72 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.82 -52.81 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.01 -30.94 71.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -70.63 -36.32 73.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.96 -44.18 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.85 -36.65 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -71.63 -30.73 66.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.17 -46.06 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 75.8 p -59.63 -35.84 75.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.27 -43.88 76.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -60.73 -36.99 80.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 15.0 mt -66.22 -40.59 87.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -34.49 66.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.31 -38.27 86.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -39.33 71.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 23.5 mt -69.64 -49.34 54.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -60.01 -36.96 78.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -70.09 -30.1 67.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.8 -49.15 49.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -62.32 -38.25 88.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -80.78 -2.9 49.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 61.49 73.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -132.25 75.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -60.41 -29.98 69.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -71.4 -22.77 61.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.93 -6.72 53.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -71.48 -34.4 70.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.558 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -58.22 -56.23 37.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.4 Cg_endo -69.77 -43.28 2.74 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.632 2.221 . . . . 0.0 112.36 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 15.5 m -58.15 -37.17 74.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 2.1 t -75.46 -32.19 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -71.86 -47.34 53.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -57.58 -35.82 70.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 58.0 mt -67.44 -37.3 78.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -64.89 -36.8 85.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.6 mt -57.18 -49.28 76.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.39 83.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 98.1 t -68.59 -51.5 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 92.0 m -67.11 -43.66 81.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.94 -35.59 73.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 3.0 ttp -65.15 -50.67 65.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -52.78 -36.75 58.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 30.5 t -55.9 -32.47 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.7 -20.98 65.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -96.94 155.44 37.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 174.12 10.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -24.01 21.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -150.11 117.81 3.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 110.809 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.31 38.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -120.33 21.01 11.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.9 139.98 51.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.626 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 10.7 mt-10 -61.46 -52.69 68.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.738 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.5 Cg_endo -69.76 -29.51 23.75 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 28.4 t -66.74 -38.54 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -65.32 -46.23 81.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 58.1 m -73.42 -39.46 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 34.7 m -59.29 -29.84 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.17 -29.95 63.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -72.3 -48.38 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.4 pp -70.49 -39.19 74.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 3.5 tp -63.67 -51.26 65.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -65.17 -46.06 82.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.84 76.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -42.64 99.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -73.02 -30.0 63.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.055 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -71.45 -46.06 61.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 17.6 mtt85 -62.6 -43.83 97.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -40.15 88.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -47.05 78.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 31.2 t -66.57 -38.45 87.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -69.14 -49.94 52.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 17.6 m -69.45 -27.87 65.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -53.69 -36.76 62.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -103.83 70.69 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 5.1 p -88.79 -177.85 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.853 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.2 t -119.4 64.89 8.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.683 0.754 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.907 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.1 Cg_endo -69.83 -26.05 27.66 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.698 2.265 . . . . 0.0 112.288 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.907 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.3 Cg_endo -69.8 -164.96 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.629 2.219 . . . . 0.0 112.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.443 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 16.5 pt-20 -49.53 155.82 1.26 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.7 Cg_endo -69.77 -17.99 37.2 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.723 2.282 . . . . 0.0 112.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -90.06 8.54 79.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -51.53 161.71 0.8 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.598 0.713 . . . . 0.0 111.066 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -37.0 9.73 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 41.0 t -51.03 148.55 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.56 81.37 4.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -51.9 -38.63 56.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -56.36 -43.25 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -27.9 61.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -49.45 77.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.99 -37.91 75.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -69.06 -34.99 76.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -70.01 -45.0 68.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.3 m -67.87 -39.01 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.0 mt -64.59 -49.3 81.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -62.1 -45.92 91.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 71.7 m -65.08 -47.9 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.1 -42.0 99.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.042 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.48 -35.76 79.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.33 -48.28 61.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -34.8 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.084 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.72 -43.93 78.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -66.08 -32.91 74.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.89 -26.96 67.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -64.52 -30.13 71.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -66.72 -39.85 88.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -73.99 -31.28 62.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.94 -37.8 38.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.0 p -72.96 -32.26 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.2 t -76.93 -35.19 57.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.9 mm -66.57 -38.79 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 43.0 p -67.96 -43.35 79.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.4 m -66.16 -49.19 68.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -24.23 62.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -51.78 161.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -63.2 -26.63 68.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.75 93.39 9.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 179.886 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -141.39 -74.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 165.87 123.16 0.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.98 156.35 0.12 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.564 0.697 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 152.08 69.21 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.632 2.221 . . . . 0.0 112.364 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -92.78 134.29 27.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.551 0.691 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -49.19 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.303 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -116.42 -131.5 4.76 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.98 154.28 71.22 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.639 0.733 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -51.76 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.326 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 4.4 m -124.22 120.7 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.78 -53.07 45.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.135 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -57.92 -48.66 79.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -51.25 -35.96 39.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 98.1 t -70.08 -46.94 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.64 -53.26 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.46 -29.25 70.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -71.17 -36.6 72.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.5 -44.37 16.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -57.58 -36.18 71.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -71.79 -30.49 65.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 72.6 t -63.06 -47.4 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 68.9 p -58.92 -36.5 74.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -68.25 -44.67 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -60.67 -31.75 70.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 17.5 mt -72.19 -38.14 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.67 -34.9 69.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -36.1 79.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -38.02 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.67 -49.02 64.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -60.51 -37.24 80.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -66.69 -32.84 74.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.29 -49.14 45.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -62.72 -24.08 67.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -95.21 10.81 34.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 51.48 66.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -129.22 85.6 2.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -64.94 -38.55 91.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.37 -23.46 63.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 39.5 m -75.49 -15.02 60.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -71.95 -35.34 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.535 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -54.84 -57.26 20.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.8 Cg_endo -69.75 -44.54 2.03 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.246 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 23.3 m -59.97 -33.77 72.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 65.0 m -75.52 -32.42 60.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.58 -48.32 64.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -58.67 -39.14 79.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 57.6 mt -65.53 -37.33 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -63.43 -37.16 86.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.44 -50.3 73.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.36 -36.47 82.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 92.1 t -67.96 -51.42 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 94.6 m -67.19 -43.32 82.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.94 -38.95 80.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -49.58 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.34 83.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 43.4 t -55.41 -38.13 68.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -21.01 65.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -94.65 153.64 40.16 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.584 0.707 . . . . 0.0 110.937 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 176.61 6.52 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.391 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -3.78 37.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -154.29 93.53 2.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 159.34 53.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -111.35 7.44 20.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.49 136.74 38.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.631 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 1.9 mt-10 -61.71 -51.57 75.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.3 Cg_endo -69.8 -29.11 24.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.64 2.226 . . . . 0.0 112.337 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.68 -36.45 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -65.31 -46.08 81.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 43.2 m -75.27 -39.6 59.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 43.8 t -59.31 -32.73 70.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -29.7 68.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -72.61 -48.31 40.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.4 pp -72.14 -39.95 68.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.97 -51.05 68.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.08 -41.14 95.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.92 76.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 1.7 m -61.9 -48.04 82.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.88 68.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -74.79 -45.38 43.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -62.01 -45.36 93.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -38.93 83.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.96 -45.59 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 6.1 t -66.16 -37.73 86.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -66.84 -49.38 65.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 12.3 p -69.17 -27.02 65.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -36.93 84.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.71 74.11 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 50.7 p -102.59 -175.77 2.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.856 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.7 t -119.57 64.93 8.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.656 0.741 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.904 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.1 Cg_endo -69.74 -26.08 28.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.904 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.8 Cg_endo -69.75 -165.0 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.356 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.443 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.7 OUTLIER -50.06 156.36 1.36 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.7 Cg_endo -69.76 -14.53 36.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.623 2.216 . . . . 0.0 112.368 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -93.89 8.55 73.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -51.2 161.49 0.74 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.621 0.724 . . . . 0.0 111.075 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -37.29 9.3 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.262 . . . . 0.0 112.364 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 48.7 t -51.0 147.26 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.84 85.69 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -51.88 -30.07 22.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -60.21 -43.91 95.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.7 -28.54 61.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -50.96 72.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 1.8 m -59.83 -36.55 77.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -69.59 -35.18 75.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -70.02 -45.44 67.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.4 m -66.55 -38.75 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 56.3 mt -66.3 -49.93 71.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -59.51 -46.44 88.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 93.7 m -63.74 -44.58 93.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.32 94.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -67.8 -35.76 79.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -70.0 -48.47 57.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -34.19 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.35 -44.0 80.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -29.01 70.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -68.76 -34.24 75.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -62.01 -33.66 74.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -66.78 -39.59 87.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.11 -31.53 62.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 1.3 tt -78.69 -37.61 41.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.22 -32.27 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.2 t -77.14 -35.17 56.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.49 -41.85 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 75.4 p -69.03 -41.05 78.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 89.3 m -65.54 -48.36 72.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -65.63 -31.71 72.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -59.64 153.83 19.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.26 35.37 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.13 85.76 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -150.31 -169.97 3.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -128.35 -66.45 0.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.83 160.03 31.22 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.607 0.718 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 152.27 69.22 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.641 2.228 . . . . 0.0 112.327 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -97.28 136.88 21.22 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.631 0.729 . . . . 0.0 110.83 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.1 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.248 . . . . 0.0 112.302 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -106.38 -147.86 15.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.14 157.35 41.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 110.915 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -52.26 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.287 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 6.2 m -124.4 119.88 30.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -66.42 -53.22 38.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.122 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -57.65 -47.54 81.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -50.71 -37.22 40.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 85.9 t -69.24 -47.1 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.83 -52.62 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.08 -30.23 71.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -71.28 -36.81 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.02 -44.53 16.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -57.45 -36.46 71.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -71.92 -30.77 65.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.72 -45.54 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 72.4 p -60.72 -36.91 80.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.31 -44.14 76.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -60.8 -35.4 76.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 14.4 mt -67.43 -37.97 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.09 -34.55 72.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -61.43 -36.24 79.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.8 -37.89 73.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.38 -49.03 65.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -60.42 -37.46 80.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.61 71.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.62 -49.29 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -64.37 -23.53 67.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -93.2 10.02 33.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 51.65 62.87 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -127.1 84.27 2.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -64.86 -38.67 91.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.32 -22.89 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 34.1 m -75.48 -14.94 60.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -71.61 -35.39 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.53 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.11 -57.26 20.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.647 0.737 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.8 Cg_endo -69.74 -44.69 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.744 2.296 . . . . 0.0 112.324 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 25.8 m -59.74 -35.08 73.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 9.9 t -74.69 -32.2 62.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -69.72 -47.63 62.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -58.6 -34.32 70.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 52.8 mt -68.67 -37.78 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -64.13 -36.57 84.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.9 -48.06 79.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -63.09 -36.7 84.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 96.1 t -67.31 -51.77 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 59.5 m -67.45 -43.12 81.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.25 -43.1 99.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 1.7 ttt -65.08 -50.06 67.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.35 83.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 20.0 t -55.82 -36.98 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . 0.404 ' HG ' ' CD1' ' A' ' 698' ' ' PHE . 0.6 OUTLIER -63.08 -22.94 67.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . 0.404 ' CD1' ' HG ' ' A' ' 697' ' ' LEU . 48.3 m-85 -86.25 151.6 54.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.32 64.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -20.11 40.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -130.33 87.12 51.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.16 69.23 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -112.84 20.93 16.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.86 137.9 51.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.63 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 12.3 mt-10 -61.57 -51.92 73.4 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.707 0.765 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.7 Cg_endo -69.81 -29.53 23.46 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.1 t -66.75 -39.05 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -65.68 -46.03 80.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 59.0 m -73.47 -37.06 65.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 5.2 t -59.01 -34.55 72.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -29.8 68.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -72.48 -48.49 40.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.3 pp -71.52 -40.53 70.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 19.4 tp -64.62 -50.45 67.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -65.15 -40.57 94.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.12 -33.83 76.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -48.1 82.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -63.11 -29.93 71.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -76.52 -46.01 28.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -60.96 -44.18 97.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -44.98 94.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -56.95 -34.89 68.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -37.57 85.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.9 -49.38 58.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 7.2 p -65.39 -26.64 68.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -49.1 77.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -96.05 71.25 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 14.4 p -100.33 -177.75 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.859 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.7 t -119.89 64.82 9.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.648 0.737 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.896 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.6 Cg_endo -69.74 -26.06 28.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.384 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.896 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.1 Cg_endo -69.75 -165.11 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.264 . . . . 0.0 112.335 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.446 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 1.1 pt-20 -49.61 156.43 1.17 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.671 0.748 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 54.1 Cg_endo -69.76 -13.79 35.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -95.24 8.97 69.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -50.96 161.47 0.68 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 111.059 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -37.25 9.48 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 52.0 t -51.02 146.95 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.17 84.81 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -52.12 -24.68 7.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -67.93 -45.79 73.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -29.26 61.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -50.23 74.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 3.4 m -58.12 -32.84 68.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -69.23 -35.42 76.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -69.19 -45.14 70.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.6 m -67.86 -38.85 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 60.4 mt -66.99 -50.26 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -59.18 -46.35 88.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 2.1 t -64.79 -48.16 75.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.93 92.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -67.75 -35.66 79.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -70.53 -48.21 56.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -34.19 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.25 -44.13 80.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -74.09 -37.13 64.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -61.83 -26.97 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.11 -22.14 61.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 7.7 mtpt -68.46 -30.28 69.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -73.22 -41.26 63.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 4.4 pp -77.87 -29.03 50.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 1.4 p -80.73 -30.95 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 10.7 t -78.81 -32.64 46.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.39 -38.93 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 72.1 p -67.62 -43.35 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.7 m -66.38 -48.99 68.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -22.52 61.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -51.7 166.22 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -95.78 28.04 3.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.3 23.51 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.789 0.328 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -163.18 -170.4 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -89.81 -134.63 5.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.449 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.15 160.57 6.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.553 0.692 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 152.26 69.04 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.716 2.277 . . . . 0.0 112.287 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.57 137.34 21.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.654 0.74 . . . . 0.0 110.869 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.242 . . . . 0.0 112.405 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -107.97 -149.7 14.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.48 152.36 41.32 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.58 0.705 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.6 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 3.1 m -123.55 120.49 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.55 -53.29 44.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.108 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -48.22 80.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -51.57 -37.05 47.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.19 -47.19 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.19 -52.63 53.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.85 -30.25 71.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -71.08 -36.67 72.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.31 -44.39 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -36.5 71.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -71.61 -30.84 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 79.0 t -64.14 -44.86 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 82.2 p -61.18 -36.8 80.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.3 -44.65 75.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -60.81 -31.92 71.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 15.7 mt -71.52 -37.78 65.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.58 -34.25 75.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.13 -36.72 80.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.09 -38.14 72.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.7 -49.14 67.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -60.41 -37.41 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.05 -32.61 73.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.74 -48.91 51.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -64.06 -26.0 68.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.958 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -96.76 7.99 45.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 51.68 73.77 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -129.9 67.03 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -55.78 -32.56 63.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -71.39 -22.53 61.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 48.7 m -90.75 -5.73 55.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -72.14 -35.22 69.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.55 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -56.1 -56.49 30.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.612 0.72 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.8 -44.93 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.724 2.282 . . . . 0.0 112.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 29.2 m -59.21 -39.81 83.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 6.7 t -74.78 -32.25 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -72.21 -46.99 53.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -57.53 -33.55 68.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 52.9 mt -68.04 -37.55 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -65.82 -37.12 85.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 6.2 mt -56.92 -45.63 82.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -63.02 -36.58 84.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 94.1 t -69.38 -51.38 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 63.5 m -66.39 -42.99 87.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.91 -37.64 77.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -50.07 67.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -60.28 -36.19 77.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 4.6 t -55.98 -32.36 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.27 -20.84 63.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -84.97 158.09 59.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 167.31 24.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -29.76 14.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -148.56 121.09 4.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.586 0.707 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.67 30.18 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -122.27 25.14 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 1.2 tp -125.48 139.73 53.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.632 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 2.3 mt-10 -61.32 -51.97 74.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.734 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.632 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.77 -29.67 23.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 24.8 t -66.77 -38.95 82.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -65.41 -46.2 80.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 67.1 m -72.79 -39.35 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 3.4 t -59.36 -29.95 68.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.05 -30.02 63.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -72.28 -48.12 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.4 pp -70.89 -39.37 72.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 5.0 tp -61.86 -51.12 69.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.961 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -65.14 -40.07 93.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.87 -34.03 77.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -48.08 82.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -73.06 -39.39 65.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.03 -36.54 84.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 10.9 mtt85 -71.7 -42.2 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -47.0 85.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -41.02 99.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 30.3 t -66.02 -43.63 87.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -68.63 -48.89 62.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 33.2 m -66.94 -27.71 67.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -36.8 66.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -102.16 37.98 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.99 178.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.882 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 8.4 p -125.85 57.37 18.5 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.595 0.712 . . . . 0.0 111.176 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.916 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.0 Cg_endo -69.73 -25.19 29.01 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.665 2.244 . . . . 0.0 112.331 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.916 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.1 Cg_endo -69.73 -90.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.472 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.8 OUTLIER -133.38 157.61 77.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.643 0.735 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.2 Cg_endo -69.81 -17.32 37.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -70.89 -12.39 71.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.479 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -57.58 163.46 3.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 111.055 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -7.35 20.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.279 . . . . 0.0 112.307 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 99.0 t -100.42 124.63 54.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.4 110.46 12.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 27.7 p90 -58.89 -32.63 69.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -62.71 -39.63 94.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.17 -27.83 61.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -51.23 70.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 1.5 m -57.95 -38.54 76.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -34.57 74.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -71.04 -45.04 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.86 -38.87 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.4 mt -65.38 -50.35 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -62.49 -45.92 90.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 52.0 m -64.97 -48.05 75.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -60.26 -41.98 94.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.32 -35.9 80.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -70.23 -48.53 56.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -34.53 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.39 -44.05 79.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -65.93 -37.75 86.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -61.01 -26.97 67.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.06 -43.58 87.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -58.91 -38.16 78.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -28.38 62.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.67 -39.29 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.61 -36.48 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.3 t -70.53 -33.0 70.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.49 -41.52 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 19.5 p -69.01 -41.43 77.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 86.2 m -64.04 -48.49 76.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -67.86 -32.09 72.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.2 169.54 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -53.42 -28.6 30.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 107.94 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.828 0.347 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.42 -172.12 1.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -108.28 125.58 7.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 63.07 160.08 0.12 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 152.11 69.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -94.05 135.22 24.86 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 0.0 110.849 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -49.01 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.393 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -110.79 -148.68 11.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.74 152.81 40.23 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.563 0.697 . . . . 0.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 9.6 m -123.9 119.93 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.3 m -66.13 -53.6 35.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.71 -48.59 80.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -50.95 -36.8 40.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 78.3 t -69.29 -47.23 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.63 -52.87 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.29 -30.01 71.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -70.85 -36.96 73.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.14 -44.48 16.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -57.94 -36.41 72.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -71.78 -31.11 66.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 68.5 t -63.39 -45.56 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 81.9 p -60.44 -37.02 79.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.5 -42.24 78.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . 0.434 HD21 ' N ' ' A' ' 664' ' ' ASN . 1.3 m-80 -62.81 -31.13 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 17.1 mt -72.56 -38.13 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -55.76 -34.79 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.54 -38.07 86.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -38.31 73.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.3 -49.18 58.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.79 -37.15 80.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.95 -30.51 68.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.89 -49.14 49.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -62.69 -37.03 84.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -81.78 -3.03 52.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 61.61 73.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -132.3 75.07 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -60.39 -29.83 69.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -71.44 -22.79 61.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.97 -6.39 54.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -71.67 -37.58 70.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.555 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -54.78 -56.22 29.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.106 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.0 Cg_endo -69.76 -44.23 2.2 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 18.5 m -58.49 -38.89 78.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 3.2 t -74.63 -32.28 62.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.31 -47.38 50.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.2 -34.57 70.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 58.4 mt -68.32 -37.5 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -64.51 -36.8 85.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.3 mt -56.88 -50.38 72.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.48 74.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.32 -51.36 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 96.5 m -66.54 -41.68 88.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.98 -41.64 88.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -49.96 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -60.34 -36.31 77.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -36.21 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . 0.41 ' HG ' ' CD1' ' A' ' 698' ' ' PHE . 0.6 OUTLIER -65.69 -21.95 66.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . 0.41 ' CD1' ' HG ' ' A' ' 697' ' ' LEU . 47.8 m-85 -86.58 150.88 52.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.653 0.739 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.79 36.97 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.627 2.218 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -9.75 57.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.51 90.06 6.64 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 154.36 67.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -112.61 15.21 20.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.78 137.26 49.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.639 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 17.4 mt-10 -62.01 -51.77 72.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.667 0.746 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.5 Cg_endo -69.71 -28.41 25.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 18.4 t -67.12 -38.21 80.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -66.16 -45.33 81.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 2.3 t -75.11 -35.07 61.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 9.8 t -58.74 -36.0 73.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.29 -29.82 68.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -72.74 -48.42 38.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.3 pp -71.79 -40.59 69.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 4.6 tp -60.5 -51.26 70.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -65.16 -41.05 95.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.05 -33.79 76.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.068 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -48.18 81.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -71.59 -30.16 65.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -38.49 71.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -72.04 -45.15 61.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -47.17 86.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -62.31 -43.61 98.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 10.0 t -66.32 -38.56 87.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -69.11 -49.5 56.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 66.7 m -69.39 -27.61 65.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -53.6 -36.67 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -106.5 45.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 1.4 p -66.88 -177.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.852 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.3 t -118.83 65.21 6.74 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.915 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.5 Cg_endo -69.77 -25.99 27.98 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.703 2.268 . . . . 0.0 112.374 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.915 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.6 Cg_endo -69.79 -165.37 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.67 2.247 . . . . 0.0 112.341 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.429 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.7 OUTLIER -50.31 156.36 1.47 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.885 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 54.1 Cg_endo -69.77 -15.83 37.22 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.352 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -91.02 7.08 81.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.533 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -51.1 161.87 0.67 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -38.0 8.4 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.688 2.258 . . . . 0.0 112.334 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 44.2 t -51.17 147.99 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.78 87.25 7.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -51.91 -40.02 60.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -55.12 -57.2 12.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 53.9 mt -61.96 -27.63 68.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -51.01 71.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 1.5 m -64.84 -36.4 84.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -69.69 -34.81 74.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -70.4 -45.14 66.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.8 m -66.75 -38.71 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 53.6 mt -66.13 -50.08 71.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -62.56 -44.06 97.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 6.3 t -66.97 -48.31 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.04 91.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -67.67 -35.61 79.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -67.59 -48.58 66.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -34.64 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.71 -44.21 78.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -65.05 -31.75 73.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.85 -27.05 67.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.99 -29.61 68.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -67.28 -37.77 83.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -33.92 62.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.43 -36.16 45.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 9.6 p -74.3 -32.17 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.5 t -77.52 -34.82 53.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.78 -40.44 85.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 44.4 p -69.1 -41.47 77.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 95.2 m -65.98 -48.86 69.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.168 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -63.57 -32.97 74.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -55.28 152.14 8.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.94 62.26 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.75 109.99 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.851 0.357 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.02 159.56 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -87.06 132.62 11.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.97 156.35 0.12 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 152.15 69.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -98.07 136.94 20.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.34 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -117.03 -143.8 7.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.5 151.12 39.14 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.548 0.69 . . . . 0.0 110.935 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -51.62 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.662 2.241 . . . . 0.0 112.32 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 5.6 m -124.15 121.39 34.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.8 m -64.56 -53.13 52.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.56 -48.12 81.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -51.79 -36.41 47.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 93.3 t -69.16 -47.08 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.61 -52.71 50.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.63 -30.02 71.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -70.79 -36.83 73.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.33 -44.39 16.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.82 -36.36 72.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -71.93 -31.27 66.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 67.2 t -62.79 -46.72 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 75.6 p -58.96 -37.53 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.47 -42.23 79.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -60.79 -35.22 75.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 14.1 mt -70.44 -40.5 77.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -33.88 65.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.67 -35.58 76.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.42 -40.1 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.09 -49.61 49.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -58.78 -36.61 74.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.95 -33.71 74.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.45 -49.34 42.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -59.91 -20.72 58.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -100.69 11.52 39.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 54.97 65.47 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -129.34 81.62 2.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -64.51 -37.81 88.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.55 -23.09 63.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 34.5 m -75.46 -14.36 60.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -72.16 -38.19 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.53 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -52.14 -57.09 16.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.2 Cg_endo -69.82 -43.11 2.8 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 10.4 m -58.1 -32.16 67.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 4.8 p -75.26 -32.48 61.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.11 -48.16 58.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -58.31 -37.5 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.2 -37.37 79.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -63.18 -37.17 86.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.95 -50.08 74.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.74 -36.48 83.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 87.6 t -68.24 -51.55 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 61.6 m -67.17 -43.16 82.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.03 -37.89 81.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -49.74 68.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -67.18 -36.53 81.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 1.9 m -55.59 -38.46 69.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.8 -20.53 65.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -102.2 153.69 37.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.676 0.75 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.22 66.65 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.367 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -15.3 59.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.6 84.46 45.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.639 0.733 . . . . 0.0 110.846 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 163.8 36.9 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.27 . . . . 0.0 112.322 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -111.72 20.05 17.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.04 136.29 53.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.644 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 10.1 mt-10 -62.03 -51.54 74.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.731 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.3 Cg_endo -69.72 -28.68 25.13 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.75 -35.36 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -65.41 -46.53 79.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.1 m -75.46 -40.54 57.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 24.4 t -59.3 -28.64 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.35 -27.69 59.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -72.93 -40.7 65.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.91 -33.0 59.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 2.2 tp -67.21 -50.91 59.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -63.35 -44.71 94.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -66.71 -34.3 77.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 2.4 m -62.94 -47.51 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -67.32 -30.76 70.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -76.65 -38.09 55.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -38.53 70.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -47.16 86.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -34.89 79.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -43.17 93.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -69.15 -49.02 60.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 62.5 m -65.91 -27.9 68.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 20.0 tpp85 -57.99 -36.97 73.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.39 69.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 12.0 p -110.69 -178.03 3.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.885 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 1.4 t -118.11 66.79 6.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 111.096 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.895 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.4 Cg_endo -69.77 -25.24 28.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.286 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.895 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.4 Cg_endo -69.7 -88.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.729 2.286 . . . . 0.0 112.335 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.414 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 1.2 pt-20 -137.22 155.2 75.99 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.611 0.719 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.7 Cg_endo -69.79 -15.3 36.91 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.67 2.247 . . . . 0.0 112.31 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -79.91 -6.32 89.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.527 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -57.36 160.8 6.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.597 0.713 . . . . 0.0 111.131 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -8.77 24.46 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.316 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 30.0 t -74.88 149.03 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.98 87.37 6.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -51.99 -24.95 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -71.17 -53.45 14.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -27.68 69.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.89 -50.97 72.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 2.7 m -61.24 -36.79 80.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.6 -34.86 74.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.31 -45.29 66.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.6 m -66.63 -38.83 82.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 49.3 mt -64.16 -45.95 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -61.96 -46.22 90.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 77.5 m -65.2 -48.15 74.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.06 92.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -67.98 -35.51 78.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -67.49 -48.45 67.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -34.82 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.41 -39.01 85.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -68.58 -41.52 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -61.76 -28.38 69.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.84 75.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -58.86 -38.19 78.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -73.01 -28.3 62.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.64 -39.57 36.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.1 p -71.31 -37.01 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.3 t -69.79 -32.83 71.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.38 -38.72 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 16.1 p -67.38 -43.66 80.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.9 m -66.24 -49.13 68.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -22.55 62.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.52 174.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.01 25.95 5.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.08 61.34 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.832 0.349 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.15 162.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -111.97 129.33 9.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.9 160.52 0.12 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.601 0.715 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 152.28 69.63 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.78 137.11 20.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -49.19 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -105.21 -145.09 13.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 1.1 mt -118.74 154.62 52.81 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.633 0.73 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -51.78 0.36 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 4.3 m -124.18 120.41 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 5.0 m -66.23 -52.73 44.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.77 -48.4 79.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -50.76 -36.13 35.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 98.8 t -69.52 -46.88 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.61 -52.81 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.6 pp -64.17 -30.34 71.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -70.86 -36.59 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -44.39 16.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -57.86 -36.37 72.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.73 -31.14 66.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.25 -46.63 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 68.7 p -58.98 -37.27 76.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.3 -42.94 78.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -60.72 -35.11 75.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 15.2 mt -69.37 -37.89 76.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -59.18 -34.43 72.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.19 -37.91 84.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -38.68 72.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 10.2 mp -68.52 -49.3 60.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -60.35 -37.31 80.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -71.08 -30.35 66.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.01 -49.07 49.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -63.32 -37.74 88.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -80.91 -2.98 49.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 61.38 74.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -132.12 72.37 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.0 -32.1 63.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -22.24 61.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 23.7 m -89.85 -7.13 55.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -72.23 -38.26 68.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.556 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -53.44 -56.36 25.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.9 Cg_endo -69.75 -44.37 2.12 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 16.9 m -58.48 -37.36 75.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 3.3 t -75.35 -32.44 60.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -73.17 -46.9 48.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -57.5 -34.84 69.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 59.4 mt -67.51 -37.5 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -64.95 -37.43 87.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.3 mt -57.57 -47.68 81.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.5 82.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.052 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 88.9 t -69.32 -51.38 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.15 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 87.9 m -66.46 -43.0 86.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.03 -38.99 80.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -65.22 -49.8 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.06 79.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 2.4 t -55.35 -35.87 65.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.44 -21.03 66.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -87.84 158.36 50.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 166.22 28.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -30.12 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -148.02 119.34 4.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.67 0.748 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 166.37 27.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -122.24 26.47 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.9 139.89 53.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.621 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 6.9 mt-10 -61.35 -52.76 68.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.703 0.763 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.76 -28.32 25.41 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 32.0 t -68.33 -37.77 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -44.89 87.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.06 -41.62 58.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.828 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 15.2 t -59.78 -38.69 82.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 5.9 tp -76.21 -28.57 57.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -72.75 -39.91 66.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.97 -32.59 59.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 7.4 tp -63.2 -51.05 67.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -64.94 -40.99 95.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.94 76.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 1.7 p -69.33 -44.01 72.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -64.86 -38.4 90.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.116 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -36.65 76.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -71.96 -45.95 59.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -47.17 87.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.2 -41.26 99.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 26.0 m -66.21 -38.96 89.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.04 -49.35 58.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.13 -28.06 66.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -36.95 63.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -102.16 48.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 1.1 p -76.96 178.63 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.892 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 1.2 t -118.33 66.71 6.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.734 . . . . 0.0 111.157 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.917 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.7 Cg_endo -69.79 -25.16 28.74 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.917 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.5 Cg_endo -69.78 -88.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.336 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.409 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.8 OUTLIER -135.78 155.1 78.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.921 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.6 Cg_endo -69.74 -15.47 37.18 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -78.3 -11.64 85.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -52.43 161.58 1.05 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.543 0.687 . . . . 0.0 111.141 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -8.5 23.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 96.6 t -85.01 120.53 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.37 97.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -64.08 -28.0 69.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -68.83 -51.71 37.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.88 -27.66 68.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -50.86 72.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 2.0 m -57.94 -37.76 74.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -69.59 -34.78 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -70.52 -45.1 66.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.3 m -66.81 -38.65 81.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 52.9 mt -65.83 -48.67 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -62.17 -46.09 90.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 7.6 t -66.37 -46.64 76.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.16 -41.93 99.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -67.22 -35.86 80.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -69.32 -48.32 61.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -34.71 71.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.19 79.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -66.35 -36.05 81.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.01 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.35 -30.8 71.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -67.0 -39.71 87.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.07 -31.38 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 28.7 tp -78.86 -37.64 39.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.2 p -73.19 -32.23 37.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.2 t -77.18 -35.27 56.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.42 -41.91 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 69.9 p -68.47 -41.91 79.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 97.5 m -66.13 -49.1 68.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -23.72 61.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.87 160.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.35 -32.22 13.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 6.2 tttp 57.84 77.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.851 0.358 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 59.99 175.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -107.01 160.81 14.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 63.18 160.06 0.12 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 152.47 69.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -93.66 134.8 25.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.651 0.738 . . . . 0.0 110.828 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -49.37 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -108.79 -154.09 16.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.482 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -100.1 152.52 37.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.623 0.725 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -51.58 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.16 120.41 32.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.69 -53.47 40.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.49 -48.06 82.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.7 -37.19 49.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 84.2 t -68.83 -47.18 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.21 -52.46 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.16 -30.45 71.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -71.04 -36.9 72.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.12 -44.37 16.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -57.97 -36.45 72.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.81 -30.83 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 69.2 t -64.27 -46.05 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 81.9 p -59.69 -35.87 75.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.2 -45.31 73.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -60.64 -31.99 71.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 15.2 mt -72.21 -39.63 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -34.66 68.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -61.63 -36.68 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.07 -38.76 72.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.81 -49.25 63.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -60.69 -37.41 81.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.71 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.49 -46.28 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -67.2 -25.48 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -92.32 12.06 23.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 52.38 61.33 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -127.25 70.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -58.73 -31.41 68.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -69.87 -28.61 65.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.08 -6.16 49.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -71.62 -35.22 70.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.541 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.89 -56.77 26.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.727 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.79 -44.22 2.18 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.262 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 27.6 m -60.46 -34.49 74.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 9.6 t -75.35 -32.36 60.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -70.24 -47.71 60.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.11 -36.73 73.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 56.4 mt -67.18 -37.57 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -63.84 -36.79 85.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -57.31 -50.26 73.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -59.69 -36.58 76.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 91.5 t -65.33 -51.78 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 43.1 m -67.31 -42.13 84.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.47 -44.39 97.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.16 -50.01 67.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.53 83.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 31.3 t -56.19 -36.6 68.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . 0.401 ' HG ' ' CD1' ' A' ' 698' ' ' PHE . 0.5 OUTLIER -63.53 -22.84 67.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . 0.401 ' CD1' ' HG ' ' A' ' 697' ' ' LEU . 47.1 m-85 -85.89 149.24 50.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 153.5 68.73 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.739 2.292 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -17.42 55.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.19 88.73 25.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.699 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 162.55 41.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -119.51 14.71 12.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 1.2 tp -112.98 139.06 48.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.635 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 4.7 mt-10 -61.62 -51.62 75.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.686 0.755 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.1 Cg_endo -69.71 -29.52 23.97 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.634 2.223 . . . . 0.0 112.359 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.44 -38.77 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -66.02 -46.11 79.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 38.7 m -73.65 -35.73 65.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 48.5 t -58.94 -35.12 72.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -29.79 68.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -72.64 -48.29 40.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.3 pp -71.73 -40.45 69.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 3.2 tp -62.27 -51.14 68.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -63.97 -41.39 97.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.09 -33.8 76.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 5.8 m -61.84 -48.2 81.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -65.81 -31.13 71.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -77.11 -34.52 56.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -71.4 -43.15 67.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -41.59 92.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.85 -36.78 70.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -37.59 85.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -68.18 -49.39 61.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 8.7 p -66.46 -26.86 67.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -66.15 -37.69 86.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -108.81 75.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 52.2 p -102.95 -176.79 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.888 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 13.7 p -144.62 54.23 2.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 0.0 111.179 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.92 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.1 Cg_endo -69.69 -25.19 29.16 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.92 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.5 Cg_endo -69.8 -91.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.427 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.7 OUTLIER -126.6 156.29 73.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.596 0.713 . . . . 0.0 110.917 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.5 Cg_endo -69.74 -14.48 36.2 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -70.17 -9.24 63.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -54.58 162.65 1.63 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 111.074 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -16.92 37.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 29.9 m -104.66 133.14 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.86 118.81 22.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -51.47 -32.05 25.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -63.61 -43.67 96.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.69 -28.94 67.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.92 -50.3 56.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -37.21 73.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -69.55 -35.23 75.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -70.02 -45.3 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.2 m -66.57 -38.81 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.63 -50.02 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.85 -46.45 89.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 95.7 m -64.83 -43.6 92.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.88 93.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.67 -35.66 79.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.11 -48.41 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -34.47 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.5 -43.98 79.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -70.63 -36.84 73.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -61.06 -27.16 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.88 -37.54 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -58.81 -38.06 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -28.47 62.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.57 -39.46 37.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.4 -36.91 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.4 t -70.04 -32.94 71.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.42 -39.3 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 19.2 p -69.08 -42.45 76.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 97.1 m -66.16 -49.09 68.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -24.99 62.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 165.16 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -69.87 -27.66 65.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -92.75 124.19 36.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 179.931 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 4.1 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.791 0.329 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -115.39 -170.75 1.83 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 96.43 -120.82 6.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.2 160.11 40.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 152.19 69.03 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.37 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -92.38 132.51 31.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -49.32 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -115.28 -151.96 10.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.16 152.8 40.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.739 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -51.51 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 4.0 m -124.04 120.75 33.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.11 -53.16 49.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -58.63 -48.1 82.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -51.47 -35.95 42.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 95.9 t -70.23 -47.09 69.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.01 -53.38 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 4.5 pp -63.97 -29.09 70.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -70.77 -36.98 73.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.48 -44.56 15.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -57.64 -36.2 71.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -71.61 -30.6 65.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 76.6 t -63.17 -46.7 95.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 79.3 p -59.55 -37.21 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.29 -43.98 76.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -60.82 -31.99 71.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 17.3 mt -72.06 -37.99 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -34.53 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.22 -35.85 78.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -38.11 72.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.3 -49.23 61.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -60.6 -37.42 81.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.45 73.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.22 -49.14 46.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.97 -25.72 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -91.01 9.04 32.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 56.58 61.37 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -129.51 63.61 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -54.78 -31.59 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -69.41 -27.92 65.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -6.12 49.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 14.3 m-30 -71.07 -34.79 71.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.536 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -56.4 -57.12 25.07 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.623 0.725 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.1 Cg_endo -69.78 -44.31 2.14 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.624 2.216 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 28.3 m -59.98 -33.3 71.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 58.5 m -75.71 -35.06 60.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -65.55 -48.31 72.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -35.77 71.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 53.3 mt -68.62 -37.05 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -64.36 -36.2 83.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.0 -49.97 74.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.46 -36.07 81.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 99.2 t -68.92 -51.61 42.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 58.8 m -66.99 -42.03 85.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.71 -37.84 83.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 2.6 ttp -65.2 -50.2 66.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -67.48 -36.98 82.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 44.0 t -55.94 -37.42 68.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.61 -20.78 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -102.77 154.49 37.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.655 0.74 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.23 61.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -14.14 51.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -126.75 88.92 53.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 160.25 50.4 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -113.41 1.28 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 1.1 tp -99.67 137.99 37.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.648 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.5 mt-10 -61.82 -51.07 78.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.674 0.749 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.81 -29.59 23.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 19.9 t -66.26 -36.24 76.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -65.82 -46.17 79.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 63.3 m -74.49 -40.37 61.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 79.7 p -59.31 -33.37 71.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -29.17 68.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 6.3 mtp85 -72.64 -48.38 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.0 pp -72.67 -42.22 64.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 3.1 tp -55.88 -51.44 67.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -65.38 -38.11 89.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.74 -33.3 75.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.31 -40.03 92.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.818 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -73.02 -42.07 63.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.97 -46.13 82.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -59.9 -46.16 90.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -37.46 79.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -44.1 76.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 33.9 t -66.25 -37.96 86.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -67.51 -49.29 64.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 10.9 p -69.13 -26.82 65.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -48.75 73.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.3 76.05 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 53.1 p -107.14 -175.59 2.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.852 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.7 t -119.28 65.0 7.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.909 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.2 Cg_endo -69.71 -26.07 28.17 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.647 2.232 . . . . 0.0 112.374 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.909 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.7 Cg_endo -69.68 -165.17 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.447 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.6 OUTLIER -49.95 156.34 1.32 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.581 0.705 . . . . 0.0 110.91 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.9 Cg_endo -69.77 -14.8 36.57 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.641 2.227 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -93.2 8.0 75.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -51.09 161.59 0.7 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.569 0.7 . . . . 0.0 111.088 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 -38.63 7.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 52.9 t -50.94 146.92 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.43 93.02 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -51.93 -38.18 55.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -54.83 -41.53 70.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.21 -34.31 63.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.95 -51.17 71.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.64 -36.48 82.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -34.99 75.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -70.21 -45.49 66.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.9 m -66.49 -38.84 82.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.0 mt -65.0 -49.75 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -58.6 -46.42 87.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 83.9 m -63.7 -47.98 78.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.87 98.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -67.32 -35.67 79.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -68.83 -48.23 64.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -34.61 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.18 79.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -41.73 94.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.98 -27.07 68.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -69.06 -38.2 78.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -58.96 -37.99 78.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -72.9 -28.37 62.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.53 -39.62 37.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.1 p -71.28 -37.01 64.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.2 t -69.82 -32.65 71.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.1 mm -66.39 -38.84 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 18.4 p -67.89 -43.37 79.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.2 m -66.21 -49.04 68.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -23.39 62.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.01 164.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -110.24 -31.8 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp 61.08 96.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -170.67 -177.53 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -106.97 164.9 13.19 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.442 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.02 156.22 0.12 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.01 69.32 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.372 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -88.61 127.83 54.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.2 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -131.35 51.88 0.84 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.545 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 64.33 152.53 0.12 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.728 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 -51.79 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 5.3 m -124.07 120.96 33.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.29 -53.13 48.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -58.29 -48.2 81.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -51.58 -36.42 45.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.32 -46.78 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.47 -52.75 48.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.7 pp -64.17 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -71.0 -36.04 72.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.75 -44.27 17.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -57.74 -36.72 72.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -71.76 -30.82 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 66.3 t -63.89 -46.24 94.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 82.0 p -59.42 -36.5 76.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.42 -44.11 75.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -60.87 -31.69 71.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 18.1 mt -71.87 -37.75 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -33.2 67.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.0 -37.6 80.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.64 -38.55 73.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.43 -48.98 65.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -61.61 -37.43 83.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.05 -33.47 75.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.98 -49.08 49.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -62.55 -32.85 73.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -88.06 -2.91 58.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 62.02 76.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -134.42 69.31 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -56.04 -30.72 62.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.49 -22.71 61.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 679' ' ' SER . . . . . 0.423 ' C ' ' HD2' ' A' ' 682' ' ' PRO . 3.4 t -92.3 -4.77 53.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -71.57 -30.93 66.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.566 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.4 t -62.57 -55.54 38.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.77 -41.4 4.3 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 12.9 m -58.5 -41.32 85.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 1.5 t -74.86 -32.38 61.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -69.91 -47.66 61.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -58.21 -33.42 69.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 53.8 mt -68.46 -37.66 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -65.43 -36.95 85.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.802 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.84 -46.1 81.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -63.35 -36.59 84.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.62 -51.34 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 37.3 m -67.05 -43.89 81.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.14 -39.89 83.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -50.85 64.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -57.59 -36.59 71.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.02 -31.08 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -27.57 65.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -74.06 154.78 88.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.688 0.756 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 178.13 4.83 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.74 2.294 . . . . 0.0 112.341 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -13.26 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -161.23 117.05 1.34 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 157.5 60.29 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -110.82 0.09 17.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.72 138.6 36.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.641 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.3 mt-10 -62.43 -51.68 71.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.661 0.743 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.1 Cg_endo -69.77 -28.51 25.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.7 -34.55 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -65.47 -46.91 77.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 21.3 m -75.93 -38.62 57.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 33.1 t -59.11 -30.09 67.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.02 -30.26 63.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -72.34 -48.29 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.3 pp -70.79 -40.21 72.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 4.6 tp -56.06 -51.06 69.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -41.25 94.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.28 -33.78 76.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -48.07 82.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -67.64 -29.95 69.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -72.11 -46.01 58.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -45.54 94.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -39.29 85.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -47.1 80.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -39.0 89.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -69.15 -49.12 59.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 7.4 m -69.07 -27.93 66.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -59.09 -36.79 75.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -99.73 70.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 3.8 p -101.08 -179.48 4.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.881 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 0.0 OUTLIER -118.99 65.76 7.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.645 0.736 . . . . 0.0 111.149 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.921 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.2 Cg_endo -69.76 -25.39 28.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.921 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.4 Cg_endo -69.78 -52.61 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.235 . . . . 0.0 112.309 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -176.67 154.08 1.21 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.675 0.75 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -22.34 32.31 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.371 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -70.56 -17.42 74.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -50.21 162.42 0.51 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.566 0.698 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -8.18 22.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.55 150.13 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.07 81.55 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -55.18 -39.71 69.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.07 -49.64 42.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 2.9 tp -61.85 -27.63 68.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.65 -39.8 81.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.91 -35.93 67.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -70.01 -34.53 73.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -70.88 -45.28 64.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.9 -39.04 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 56.0 mt -66.15 -50.5 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -62.88 -44.23 96.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 59.5 m -66.38 -48.44 70.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -58.87 -47.0 86.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -68.15 -35.07 77.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.77 -49.55 72.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -34.89 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.52 -44.15 79.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -65.72 -39.94 91.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.92 67.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.23 -33.03 71.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -58.7 -38.52 78.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.92 -28.42 62.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.65 -39.77 36.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.07 -36.68 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.7 t -70.48 -33.54 71.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.6 mm -66.79 -38.75 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 20.7 p -68.96 -41.11 78.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 91.4 m -65.85 -49.14 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -63.35 -34.18 77.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -52.15 166.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 43.08 2.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -124.01 74.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.934 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.784 0.326 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -108.57 -60.11 1.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 157.83 -124.96 1.47 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.53 160.49 18.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 152.39 69.54 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.371 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.3 137.59 20.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.578 0.704 . . . . 0.0 110.867 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -110.59 -144.49 10.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.3 152.51 44.54 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.71 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.58 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.709 2.272 . . . . 0.0 112.351 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 4.6 m -123.66 120.5 32.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.61 -53.24 44.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.88 -47.92 81.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -51.5 -37.2 48.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 92.4 t -69.12 -47.11 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.79 -52.53 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.6 pp -64.79 -30.37 71.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -71.06 -36.73 72.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.16 -44.37 16.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.75 -36.45 72.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -71.79 -30.97 66.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.94 -44.71 98.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 66.4 p -61.28 -36.99 81.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.38 -43.72 76.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -60.64 -34.28 74.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 16.3 mt -69.41 -40.4 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -56.62 -34.67 67.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -61.32 -36.21 79.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -38.02 71.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 22.2 mt -69.44 -49.26 56.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.38 -37.27 80.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.49 -31.26 72.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.57 -49.34 41.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -63.78 -20.21 65.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -94.47 7.23 46.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 58.47 55.47 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -123.71 81.11 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -64.69 -38.06 89.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -69.24 -25.28 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 20.1 m -70.98 -13.5 62.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -71.55 -35.67 70.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.529 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -54.73 -57.41 19.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.612 0.72 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.0 Cg_endo -69.75 -44.45 2.08 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.5 m -60.05 -33.35 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 7.9 m -74.79 -32.72 62.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.91 -46.99 64.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -58.2 -34.82 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 51.0 mt -69.18 -37.84 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -63.35 -36.1 82.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.2 mt -56.45 -49.1 75.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -63.18 -36.72 84.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 99.7 t -67.68 -51.65 48.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 68.0 m -67.3 -44.34 79.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.65 -38.33 81.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -50.0 67.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.7 75.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 37.4 t -55.8 -37.52 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.78 -20.84 65.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -89.5 155.83 48.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.711 0.767 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.71 26.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -29.88 14.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -147.59 121.82 5.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 165.2 31.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.639 2.226 . . . . 0.0 112.351 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -120.32 25.05 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.58 141.81 51.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.606 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.1 mp0 -61.86 -53.17 62.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.656 0.741 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.81 -34.48 14.33 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.223 . . . . 0.0 112.328 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.23 -36.81 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -65.09 -46.2 82.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -42.09 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 1.2 t -59.64 -38.38 81.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.825 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 5.0 tp -76.02 -29.09 58.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -72.71 -40.03 66.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.1 pp -76.01 -32.84 59.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 10.5 tp -59.34 -51.21 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -65.23 -38.96 92.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.2 -33.75 76.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -37.56 84.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -72.68 -37.82 67.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -64.96 -46.0 83.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -63.67 -46.16 86.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -38.42 82.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -39.98 73.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 28.6 t -66.14 -37.84 86.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -66.94 -49.43 65.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 11.5 p -69.18 -26.79 65.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -48.81 74.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.69 76.19 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 52.2 p -105.38 -176.0 2.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.861 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.8 t -119.54 65.01 8.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.908 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.0 Cg_endo -69.85 -25.96 27.66 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.361 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.908 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.5 Cg_endo -69.8 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.34 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.449 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.6 OUTLIER -49.68 156.42 1.2 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.652 0.739 . . . . 0.0 110.896 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 54.1 Cg_endo -69.72 -14.62 36.46 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -94.31 8.89 72.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -51.06 161.52 0.7 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.608 0.718 . . . . 0.0 111.065 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -37.66 8.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.349 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 56.4 t -51.09 146.46 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.48 88.64 7.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -51.83 -30.07 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -65.25 -43.08 92.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.01 -35.53 64.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.03 -50.86 72.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 4.6 m -59.68 -34.23 72.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -69.36 -35.32 75.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -69.57 -45.15 69.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.0 m -67.47 -38.74 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 58.5 mt -67.19 -50.07 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -60.23 -46.18 90.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 2.9 t -62.18 -48.18 81.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -61.6 -41.79 97.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -67.63 -35.68 79.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -68.74 -48.08 64.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -34.48 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.24 -43.86 80.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -73.47 -34.26 65.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -63.01 -26.97 69.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -73.82 -26.13 60.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.86 -37.95 77.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -72.93 -28.25 62.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 2.1 tt -78.69 -39.53 36.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.1 p -71.41 -36.84 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.2 t -69.86 -32.35 70.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.1 mm -66.17 -38.98 83.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 28.9 p -68.58 -42.77 77.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.9 m -66.23 -48.89 69.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -24.32 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -52.29 168.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.57 51.07 1.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -170.48 99.76 0.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -140.49 -71.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -177.51 -150.58 8.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.02 160.62 1.13 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.731 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 152.14 69.15 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.236 . . . . 0.0 112.31 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -96.59 136.34 21.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -49.2 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.372 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -111.76 -146.15 10.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.94 152.38 39.59 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.293 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.04 120.56 32.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.8 m -65.71 -53.26 43.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -58.7 -48.25 81.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.52 -36.45 44.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 81.4 t -69.03 -47.0 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.61 -52.88 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.46 -30.75 71.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -70.39 -37.01 74.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.83 -44.07 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.118 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.78 -36.93 72.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -71.73 -30.69 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 66.2 t -63.88 -46.93 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 81.4 p -58.87 -36.06 74.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.23 -44.53 75.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -60.59 -36.74 79.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 12.0 mt -66.46 -40.2 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -55.96 -34.19 65.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.49 -39.26 90.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -39.13 73.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 23.8 mt -69.9 -49.15 54.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -61.19 -37.09 81.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.06 65.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.99 -49.08 49.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -67.91 -27.75 66.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -89.23 8.98 27.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 51.61 69.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -128.34 76.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -61.09 -35.63 77.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -71.27 -22.29 61.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 679' ' ' SER . . . . . 0.407 ' C ' ' HD2' ' A' ' 682' ' ' PRO . 68.2 m -85.5 -9.85 56.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -71.71 -30.88 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.557 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -61.83 -56.17 34.74 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.644 0.735 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.557 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.9 Cg_endo -69.74 -41.47 4.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 12.8 m -58.43 -35.28 71.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.78 -32.63 59.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.32 -47.64 60.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -57.91 -37.21 73.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 58.8 mt -67.17 -37.47 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -63.67 -36.68 84.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.03 -48.13 79.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.61 84.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 89.1 t -67.35 -51.87 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 87.8 m -67.37 -43.85 80.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.41 -44.27 95.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -49.93 68.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.39 80.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 1.6 t -55.88 -36.77 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . 0.405 ' HG ' ' CD1' ' A' ' 698' ' ' PHE . 0.5 OUTLIER -64.12 -22.86 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . 0.405 ' CD1' ' HG ' ' A' ' 697' ' ' LEU . 47.1 m-85 -85.56 149.17 50.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 154.52 67.75 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.658 2.238 . . . . 0.0 112.318 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -17.11 55.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.52 88.47 12.55 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.696 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 156.46 63.33 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.682 2.255 . . . . 0.0 112.394 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -111.6 21.63 15.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.03 136.43 53.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.647 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 8.1 mt-10 -61.99 -51.41 75.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.682 0.754 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.7 Cg_endo -69.81 -27.88 25.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.635 2.224 . . . . 0.0 112.342 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 18.4 t -67.97 -38.22 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -66.05 -44.08 85.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -40.58 59.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 97.6 p -59.22 -31.54 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -27.8 58.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -73.07 -40.39 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.83 -32.64 59.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 3.2 tp -66.4 -51.33 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -62.96 -44.13 96.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.81 76.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -48.0 82.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -66.94 -29.86 69.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -73.12 -36.84 66.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -72.04 -45.43 60.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.15 -39.19 85.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.01 -47.15 78.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 3.1 m -66.59 -37.79 85.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -69.01 -49.53 56.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 20.0 m -69.1 -32.26 71.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -53.86 -36.86 63.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -100.39 69.9 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 2.7 p -94.89 -177.85 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.852 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.3 t -119.4 64.92 8.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.907 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.9 Cg_endo -69.81 -26.05 27.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.35 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.907 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.6 Cg_endo -69.74 -164.91 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.444 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 20.8 pt-20 -49.34 155.89 1.17 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.634 0.731 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.8 Cg_endo -69.79 -17.87 37.19 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.717 2.278 . . . . 0.0 112.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -90.56 8.98 78.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -51.62 161.62 0.83 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.563 0.697 . . . . 0.0 111.075 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -37.33 9.34 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 44.4 t -50.95 148.0 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.71 84.39 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -52.01 -24.83 7.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -68.42 -43.83 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.89 -27.97 61.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.08 -50.97 72.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -59.41 -37.59 78.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -69.05 -34.85 75.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -70.14 -45.03 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.7 m -67.72 -38.92 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 45.9 mt -63.57 -47.77 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -62.11 -44.58 96.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 95.4 m -66.58 -47.59 72.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.39 98.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.55 -35.97 80.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.1 -48.2 58.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -34.73 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -68.22 -44.68 75.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -74.41 -34.33 63.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.58 68.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.05 63.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -58.71 -38.43 78.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.97 -28.5 62.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.65 -39.6 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.28 -36.74 62.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.7 t -70.31 -33.5 71.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.66 -39.86 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 21.3 p -69.06 -40.75 78.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 94.5 m -65.73 -46.19 79.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -68.57 -20.88 64.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.52 -32.23 69.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 64.91 40.83 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -90.65 47.07 1.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.858 0.361 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -155.83 -74.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 141.16 113.15 0.99 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.12 160.55 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.626 0.726 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 152.31 69.05 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.373 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.37 137.2 21.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 -49.13 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -105.12 -133.96 7.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.45 155.35 80.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -51.66 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 1.8 m -123.93 119.99 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 5.1 m -66.42 -53.24 37.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.64 -48.3 79.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.9 -37.04 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 90.9 t -69.77 -46.72 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.7 -52.95 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.41 -30.69 71.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -70.32 -36.31 74.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -44.17 16.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -57.78 -36.63 72.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -71.65 -30.65 65.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 73.6 t -63.34 -45.43 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 77.8 p -60.91 -37.59 82.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.22 -43.61 77.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -60.8 -34.34 74.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 16.2 mt -68.85 -37.82 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.18 -34.07 74.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -60.95 -37.59 82.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -37.87 73.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.66 -49.03 67.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -61.17 -37.57 83.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.76 -33.32 75.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.42 -49.03 53.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.051 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -65.04 -25.27 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -97.09 8.35 44.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 51.45 74.47 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -130.8 66.8 1.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -55.6 -33.11 63.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.33 -22.41 61.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 61.3 m -90.3 -6.21 55.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -71.97 -31.0 65.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.553 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -61.27 -56.3 35.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.595 0.712 . . . . 0.0 111.095 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.77 -44.32 2.14 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 28.6 m -58.52 -39.76 81.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 12.7 t -74.76 -32.27 62.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -71.17 -47.07 59.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -57.7 -33.28 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 50.0 mt -68.21 -37.46 78.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -65.79 -37.17 85.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.04 -46.16 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.45 83.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 84.3 t -69.51 -51.36 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 87.0 m -66.37 -42.7 87.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.89 -39.21 80.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 1.3 ttm -65.23 -49.77 68.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.02 -36.11 80.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 8.1 t -55.55 -35.92 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.93 -21.1 66.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -87.27 158.72 51.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.689 0.757 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 168.6 21.17 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.623 2.215 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -26.14 8.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -151.71 121.37 3.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 165.96 29.19 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.266 . . . . 0.0 112.371 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -120.97 23.67 10.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 1.2 tp -122.27 139.02 54.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.635 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 2.4 mm-40 -61.32 -51.75 75.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.74 -29.67 23.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.31 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.3 t -67.19 -38.01 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -45.98 82.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.1 m -73.52 -41.53 62.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 84.9 p -59.48 -29.04 67.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.1 tp -75.75 -27.74 58.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -72.88 -40.57 65.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.93 -32.86 59.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 6.4 tp -67.23 -51.26 55.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -63.92 -45.79 87.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.98 -33.81 76.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -48.04 82.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -72.87 -34.42 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -66.68 -38.48 86.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -44.67 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -44.55 97.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -64.46 -44.77 90.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.972 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 12.9 m -66.23 -41.28 90.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -68.99 -49.24 59.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 17.0 m -68.25 -27.32 66.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -53.62 -36.8 62.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -99.21 34.91 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.21 -178.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.854 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.2 t -118.89 65.21 6.85 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 111.13 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.917 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.2 Cg_endo -69.72 -26.03 28.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.917 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.4 Cg_endo -69.78 -165.38 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.63 2.22 . . . . 0.0 112.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.433 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.9 OUTLIER -50.21 156.37 1.42 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.929 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 54.0 Cg_endo -69.76 -15.86 37.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.242 . . . . 0.0 112.348 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -91.04 7.14 81.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -51.07 161.94 0.66 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -38.01 8.49 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.26 . . . . 0.0 112.355 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 44.6 t -51.32 147.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.02 87.64 7.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -51.92 -39.31 58.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -54.93 -54.22 45.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.51 -27.72 69.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 2.3 tp -58.69 -51.05 71.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 2.2 m -60.77 -37.44 81.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -34.82 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -70.39 -44.83 67.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 23.5 m -67.46 -38.93 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 53.0 mt -65.49 -49.84 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -62.22 -46.01 90.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 61.7 m -65.56 -43.66 89.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.86 94.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -67.32 -36.02 80.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -48.54 59.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -34.39 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.4 -41.48 84.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -63.87 -38.44 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.96 -26.92 67.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -63.25 -38.58 91.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -66.69 -39.63 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -74.11 -31.4 62.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 7.1 tp -78.83 -37.56 40.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.0 p -73.27 -32.32 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.1 t -77.15 -35.46 56.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.69 -38.74 82.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 61.4 p -67.62 -43.46 80.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 95.7 m -66.26 -49.1 68.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -22.77 61.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.83 169.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -52.12 -35.73 49.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 147.65 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.06 -171.78 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -110.77 -73.66 0.73 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.53 160.11 35.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.693 0.759 . . . . 0.0 110.828 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 152.54 69.28 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -101.25 137.94 19.81 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.61 0.719 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.744 2.296 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -111.06 -150.14 11.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.52 152.08 43.74 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.599 0.714 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -50.52 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.319 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.59 121.54 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.7 m -65.26 -52.55 53.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -57.94 -47.01 84.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -51.87 -36.35 48.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 90.1 t -70.06 -47.0 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.41 -53.46 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.61 -29.18 70.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.978 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -70.6 -36.88 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.63 -44.51 15.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -58.05 -36.27 72.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -71.59 -31.15 66.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 70.3 t -63.06 -45.82 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 75.4 p -60.04 -37.01 78.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -68.41 -43.09 77.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -60.75 -35.71 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 15.8 mt -68.45 -39.86 81.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -55.85 -34.61 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.48 -38.34 86.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.45 -38.96 71.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.0 -49.13 54.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -60.07 -36.87 78.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.6 -34.16 75.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.1 65.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.97 -29.93 70.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -92.65 8.15 40.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 51.6 75.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -131.48 67.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -55.8 -32.79 63.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -22.44 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 62.3 m -91.03 -5.61 55.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -71.96 -35.2 69.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.556 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -56.87 -56.32 34.38 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.637 0.732 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.3 Cg_endo -69.74 -43.3 2.76 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 14.9 m -58.2 -38.18 76.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 2.2 t -75.26 -32.44 61.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.7 -47.11 49.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -57.61 -34.64 69.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 59.3 mt -67.67 -37.4 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -65.38 -37.22 86.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.5 mt -57.37 -47.13 82.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.3 -36.29 81.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 89.9 t -71.05 -51.48 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 92.9 m -65.45 -41.31 93.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.78 -36.44 74.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -50.08 67.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -54.06 -36.99 63.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.053 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 40.2 t -55.68 -37.94 68.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.95 -20.88 65.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -93.72 155.9 40.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.737 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 177.07 5.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.294 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -31.32 13.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.38 130.3 6.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 159.03 54.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -111.39 16.4 20.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.98 140.88 48.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.612 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 15.9 mt-10 -62.47 -52.89 62.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.6 Cg_endo -69.71 -34.94 13.73 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.318 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.02 -34.84 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -65.22 -46.09 82.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 9.5 m -73.04 -40.72 64.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 2.6 t -59.4 -39.1 82.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.44 -28.42 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -39.73 66.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.85 -32.72 59.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 7.9 tp -63.58 -50.99 67.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -43.21 93.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.93 -34.01 76.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 47.3 m -63.42 -47.88 80.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -69.64 -29.96 67.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -45.27 81.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -68.55 -41.21 80.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -40.68 89.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -45.46 85.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.62 -39.53 88.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -69.24 -49.48 55.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 13.9 m -69.21 -27.51 65.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -53.72 -36.77 62.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -103.65 70.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 4.9 p -88.81 -177.68 5.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.855 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.4 t -119.09 64.97 7.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.589 0.709 . . . . 0.0 111.18 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.906 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.6 Cg_endo -69.73 -26.04 28.1 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.647 2.231 . . . . 0.0 112.33 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.906 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.1 Cg_endo -69.7 -165.18 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.266 . . . . 0.0 112.342 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.44 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.8 OUTLIER -50.29 156.36 1.46 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.44 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.5 Cg_endo -69.79 -15.31 36.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -92.17 7.71 78.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -51.07 161.92 0.66 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.535 0.683 . . . . 0.0 111.134 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -37.91 8.44 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 47.1 t -51.24 147.41 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.68 83.44 4.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -51.82 -37.98 53.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -54.87 -41.78 71.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.2 -29.6 61.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -49.07 79.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -38.12 75.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -69.12 -35.02 75.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -70.2 -44.97 67.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 24.4 m -67.73 -38.79 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.47 -49.37 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -62.18 -46.0 90.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 78.0 m -65.58 -47.54 75.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.23 99.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -67.54 -35.73 79.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.32 -48.3 61.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.852 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -34.72 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.44 -44.16 79.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -66.85 -39.24 87.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.84 -27.49 68.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.31 95.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -58.77 -38.14 77.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -73.07 -28.43 62.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.63 -39.16 37.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.8 -36.69 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.0 t -70.18 -32.6 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.34 -42.46 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 66.6 p -66.32 -42.68 87.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 92.2 m -66.07 -49.04 69.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -67.13 -32.88 74.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.51 153.89 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.6 55.44 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.84 138.03 24.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.75 -178.7 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -77.23 -112.88 0.15 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.57 160.53 1.9 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.567 0.698 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 152.23 69.22 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.643 2.229 . . . . 0.0 112.345 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.92 137.08 20.89 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.619 0.723 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -49.05 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.281 . . . . 0.0 112.33 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -107.04 -145.76 12.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.41 157.85 41.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.96 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.731 2.287 . . . . 0.0 112.307 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 11.1 m -124.25 119.97 30.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.3 m -66.43 -53.58 34.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -48.89 78.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -50.69 -36.22 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 90.4 t -70.38 -46.86 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.63 -53.15 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.6 -29.49 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -71.17 -36.97 72.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.21 -44.32 16.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.74 -36.47 72.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -71.94 -30.6 65.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.65 -45.44 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 82.1 p -60.74 -37.02 80.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.33 -43.86 76.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -60.73 -34.93 75.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 16.8 mt -67.85 -38.56 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -58.75 -34.25 71.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -61.17 -35.98 78.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -38.23 71.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 10.4 mp -68.08 -49.32 62.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -59.29 -37.0 76.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.15 -32.71 74.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.46 -49.4 41.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -61.75 -20.04 63.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.85 11.41 39.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 53.03 64.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -128.66 82.81 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -64.67 -38.24 90.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -69.36 -23.6 63.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 36.4 m -74.88 -14.84 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -71.71 -35.32 70.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.529 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.01 -57.32 20.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.9 Cg_endo -69.78 -44.44 2.06 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.349 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 24.7 m -60.02 -34.5 73.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 8.3 t -74.48 -32.29 62.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.39 -47.87 62.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -58.65 -34.34 71.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.86 -37.82 77.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -63.88 -36.58 84.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.86 -49.33 75.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.66 84.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 95.4 t -67.13 -51.95 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 81.4 m -67.62 -42.41 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.54 -42.68 98.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -50.0 67.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.44 84.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 2.5 t -56.07 -36.36 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . 0.401 ' HG ' ' CD1' ' A' ' 698' ' ' PHE . 0.5 OUTLIER -63.44 -21.6 66.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . 0.401 ' CD1' ' HG ' ' A' ' 697' ' ' LEU . 47.4 m-85 -87.75 151.31 49.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 148.71 65.54 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -19.67 44.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -130.46 87.55 49.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 152.98 69.68 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.739 2.293 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -112.23 22.1 15.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.81 137.54 53.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.636 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 1.8 mt-10 -61.76 -51.96 72.27 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.632 0.729 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.7 -28.57 25.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.246 . . . . 0.0 112.356 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.66 -37.42 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -65.52 -45.52 83.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.7 m -75.11 -39.39 60.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 29.7 m -59.16 -28.91 67.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -27.68 58.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -73.07 -40.45 65.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.87 -32.81 59.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 3.2 tp -67.1 -51.19 57.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -64.88 -43.22 93.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.77 76.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 1.4 m -61.94 -48.12 81.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -67.27 -29.93 69.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -73.17 -45.78 54.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -62.74 -45.18 93.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -45.29 93.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -56.81 -34.72 67.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.27 -37.67 86.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -68.72 -49.32 59.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 7.3 p -65.69 -26.66 67.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -49.17 71.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.36 78.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 22.0 p -103.63 -177.24 3.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.866 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 0.5 OUTLIER -124.57 60.38 24.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 111.084 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.912 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.4 Cg_endo -69.79 -25.92 27.97 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.617 2.212 . . . . 0.0 112.347 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.912 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.4 Cg_endo -69.7 -87.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.262 . . . . 0.0 112.402 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.416 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.7 OUTLIER -136.55 156.09 76.54 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.9 Cg_endo -69.77 -14.16 35.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -76.55 -10.24 85.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -51.87 162.55 0.76 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.555 0.693 . . . . 0.0 111.11 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -8.34 23.35 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.347 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 2.9 m -98.75 120.33 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.71 100.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -50.94 -33.26 23.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -71.24 -37.19 72.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.54 -33.37 75.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -41.23 86.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.43 -35.36 65.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -69.78 -35.24 74.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -69.89 -45.28 67.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.2 m -66.66 -38.88 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.071 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 59.4 mt -67.48 -50.04 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -60.46 -46.18 90.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 4.0 t -63.8 -47.99 78.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.26 93.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -67.52 -35.67 79.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.04 -48.08 63.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -34.42 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.25 -44.04 80.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -65.74 -36.68 84.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -65.74 -26.85 67.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.27 -37.77 74.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -58.9 -38.25 78.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -28.37 62.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.66 -39.38 37.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.46 -36.64 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.3 t -70.43 -33.08 70.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.63 -38.91 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 17.9 p -66.97 -41.91 86.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 39.4 m -65.29 -49.09 70.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -66.79 -28.8 68.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -62.8 154.03 31.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -99.3 -51.56 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 37.14 43.42 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -146.09 31.15 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 101.42 -175.18 25.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.62 160.54 81.94 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 152.22 69.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -97.09 136.9 21.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.611 0.72 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -106.02 -133.8 7.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.475 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.7 154.96 79.84 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.62 0.724 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -51.65 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 4.9 m -124.18 120.32 31.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.7 m -66.18 -53.16 40.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -57.88 -48.44 79.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -51.08 -35.2 33.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.35 -47.07 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.08 -53.52 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.78 -28.97 70.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -70.8 -36.7 73.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.64 -44.58 15.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -57.46 -36.16 71.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -71.65 -30.31 65.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.83 -47.79 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 73.2 p -58.89 -35.71 73.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -68.14 -44.1 76.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -60.6 -38.5 84.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 14.3 mt -64.81 -38.24 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -56.86 -33.91 67.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -61.54 -38.29 86.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -39.79 70.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 23.4 mt -70.05 -49.6 49.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -59.11 -36.88 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.14 -31.18 70.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -69.32 -49.2 58.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -64.22 -34.42 78.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -85.13 -3.71 58.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 61.85 75.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -134.45 69.13 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -56.32 -30.4 62.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.49 -22.47 61.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 679' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 682' ' ' PRO . 1.7 t -91.31 -6.2 53.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -71.16 -34.47 71.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.562 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.4 t -59.25 -55.73 43.28 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.648 0.737 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.8 Cg_endo -69.81 -40.25 5.47 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 6.9 m -58.54 -34.47 71.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -32.87 58.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -69.33 -47.83 63.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -57.53 -37.03 72.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 58.7 mt -67.3 -37.05 78.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -64.53 -36.87 85.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.96 -47.66 80.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.35 83.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 92.9 t -68.6 -51.44 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 57.0 m -67.08 -43.57 82.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.83 -38.38 78.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -49.79 68.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.02 82.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 9.4 t -55.4 -38.2 68.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.97 -20.77 65.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -89.81 158.12 45.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.731 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 169.6 18.58 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -25.34 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.38 120.3 3.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 165.38 31.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -120.72 25.04 9.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.48 140.11 53.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.619 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 0.9 OUTLIER -61.49 -52.8 67.41 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.8 Cg_endo -69.78 -29.07 24.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 34.6 t -67.38 -37.21 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -45.93 83.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 17.4 m -74.25 -42.05 60.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 77.9 p -60.18 -38.2 82.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.831 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.09 -29.1 57.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.58 -39.9 67.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.1 pp -76.08 -32.71 59.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.73 -51.1 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -64.53 -38.61 91.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.95 76.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -37.4 84.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -71.88 -36.74 70.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.095 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.89 -46.16 82.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -63.82 -46.12 86.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.08 -38.14 82.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -47.47 80.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 38.1 m -66.9 -44.44 80.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -60.54 -49.89 75.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 10.2 m -69.63 -35.22 75.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -53.67 -36.78 62.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -97.8 66.89 1.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.14 177.23 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.166 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.872 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 1.7 t -119.82 65.24 9.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.908 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.9 Cg_endo -69.8 -25.35 28.52 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.908 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.0 Cg_endo -69.76 -88.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.422 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.7 OUTLIER -139.23 155.5 72.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.672 0.749 . . . . 0.0 110.846 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.7 Cg_endo -69.77 -12.74 33.51 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.357 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -82.27 -8.09 86.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -56.5 161.33 4.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.553 0.692 . . . . 0.0 111.104 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -9.0 25.03 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.366 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 94.6 t -72.06 144.52 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.87 81.05 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -52.0 -36.4 49.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -50.95 29.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -28.91 69.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -47.75 84.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 37.3 m -58.21 -37.61 75.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -35.07 75.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -70.1 -45.09 67.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.5 m -67.33 -38.86 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 52.0 mt -64.03 -45.77 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.209 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -62.19 -46.07 90.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.97 -46.66 73.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -62.84 -41.89 99.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -67.37 -35.88 80.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.27 -48.42 65.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -34.95 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.73 -44.21 78.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.087 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -68.23 -38.98 82.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.81 -27.1 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.89 -38.67 73.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -58.8 -38.26 78.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.05 -28.46 62.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.62 -39.3 37.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.3 p -71.57 -36.54 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.6 t -70.56 -33.49 71.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.62 -38.75 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 20.5 p -67.75 -43.52 79.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 97.2 m -66.16 -49.08 68.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -23.5 62.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.08 164.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -33.79 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 2.6 tptp 58.03 94.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.828 0.347 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -145.27 154.81 42.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 130.81 -177.82 18.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.08 155.64 6.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.56 0.695 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 152.09 69.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -98.39 136.98 20.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -118.14 -140.88 6.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.65 152.22 42.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 0.0 110.913 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -51.79 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 4.7 m -124.29 121.54 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.01 -53.18 50.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -58.5 -48.04 82.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -51.76 -36.44 47.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 93.3 t -68.97 -47.19 77.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.77 -52.73 50.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.75 -30.12 71.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 4.5 mmtm -70.99 -36.78 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.16 -44.45 16.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -57.71 -36.35 71.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -71.73 -30.62 65.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 77.8 t -63.58 -47.25 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 79.1 p -58.79 -36.04 73.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.19 -44.93 74.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -60.59 -32.78 71.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 12.7 mt -72.03 -37.97 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -34.33 71.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.38 -35.7 78.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -38.39 72.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.62 -49.13 64.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -60.69 -37.38 81.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.62 -31.77 72.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.29 44.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.83 -23.26 67.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -94.66 10.34 35.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 51.52 64.79 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -128.59 84.8 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -64.86 -38.56 91.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -69.35 -23.05 63.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 36.8 m -75.52 -15.02 60.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -71.77 -35.19 69.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.53 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.06 -57.28 20.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.8 -44.49 2.02 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 23.9 m -59.92 -34.26 72.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 8.7 t -75.25 -32.3 61.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.53 -47.7 59.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -58.14 -37.5 74.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 56.4 mt -66.34 -37.5 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -63.95 -37.05 85.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -57.7 -49.91 74.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.61 83.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.48 -51.54 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 92.7 m -67.04 -43.14 83.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.32 -37.46 77.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 2.3 ttp -65.16 -49.88 68.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -67.51 -36.4 80.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 1.1 m -55.33 -39.4 69.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.65 -20.58 64.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -101.98 154.34 37.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 156.56 63.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -14.43 60.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.73 84.22 39.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.54 0.686 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 162.29 42.63 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -109.27 18.21 20.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.61 135.17 52.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.653 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.1 mt-10 -62.32 -51.02 76.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.729 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.3 Cg_endo -69.72 -29.17 24.48 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.39 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 17.7 t -66.31 -37.55 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -66.22 -45.98 78.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 2.7 m -75.03 -35.24 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.814 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 15.7 m -59.61 -32.3 70.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -27.45 60.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -59.84 -54.62 44.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -76.9 -32.08 57.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 68.0 tp -60.38 -51.5 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -65.64 -44.42 86.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.92 -33.39 75.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -48.04 82.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.02 67.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.55 -35.2 60.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -71.36 -42.47 68.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.86 -39.16 84.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -62.3 -39.67 93.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -37.6 85.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -68.09 -49.52 60.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 9.0 p -66.39 -26.68 67.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -65.32 -36.95 85.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.32 73.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 21.6 p -115.19 -177.85 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.886 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 1.6 t -119.28 65.82 8.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.891 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.1 Cg_endo -69.81 -25.3 28.53 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.326 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.891 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.6 Cg_endo -69.79 -88.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.42 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.8 OUTLIER -138.77 155.55 73.23 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.583 0.706 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.3 Cg_endo -69.82 -13.64 34.8 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.308 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -81.24 -9.56 85.86 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.458 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -54.99 161.44 2.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -8.51 23.79 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.97 144.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.88 86.53 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -55.31 -26.49 40.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -68.38 -54.53 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.01 -27.84 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.86 -50.07 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -36.78 73.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -70.11 -34.91 73.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -70.55 -45.91 64.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 20.1 m -64.79 -38.81 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 54.1 mt -65.54 -48.31 83.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.154 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -59.55 -46.34 89.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 95.0 m -62.94 -45.18 93.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.81 94.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -67.85 -35.59 78.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -70.34 -48.35 56.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -34.29 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.79 83.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -64.57 -35.34 80.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -64.09 -37.85 88.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -58.79 -38.52 78.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -72.92 -28.13 62.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.79 -39.61 35.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.03 -36.87 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.5 t -70.09 -33.15 71.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.77 -38.94 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 17.8 p -67.28 -40.85 86.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 60.4 m -65.97 -49.19 68.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -65.88 -21.05 66.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.56 -32.3 69.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm 64.88 27.15 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 113.45 20.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.816 0.341 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 55.74 -174.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -110.88 -131.0 5.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.57 158.47 1.5 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.646 0.736 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 152.26 69.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -98.02 137.54 20.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 110.838 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.27 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -109.56 -144.53 10.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.13 151.5 43.68 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.592 0.71 . . . . 0.0 110.905 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 -51.05 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 1.2 m -123.86 120.77 33.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.24 -53.33 46.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -58.2 -47.79 82.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -51.87 -36.48 48.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 96.6 t -69.1 -47.12 76.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.93 -52.88 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 3.5 pp -64.3 -30.17 71.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -70.77 -36.67 73.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.34 -44.41 16.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.95 -36.2 72.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -71.5 -30.58 66.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.97 -46.05 95.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 72.9 p -60.16 -35.67 75.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -67.77 -44.93 76.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -60.57 -36.7 79.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 12.6 mt -66.89 -39.23 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -56.49 -34.01 66.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -61.61 -38.15 86.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.62 -40.16 69.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 22.9 mt -69.86 -49.57 51.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -58.85 -36.79 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.25 -31.13 70.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -67.93 -49.07 63.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.66 -36.46 83.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -81.94 -4.25 56.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 61.83 74.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -133.85 68.6 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -56.23 -30.24 62.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -71.54 -22.49 61.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 679' ' ' SER . . . . . 0.406 ' C ' ' HD2' ' A' ' 682' ' ' PRO . 1.5 t -90.73 -6.8 53.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -71.07 -34.58 71.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.559 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.4 t -59.08 -55.82 42.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.095 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.6 Cg_endo -69.75 -40.61 5.13 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.677 2.252 . . . . 0.0 112.325 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 7.5 m -58.32 -33.6 69.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -33.03 59.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.95 -47.52 62.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -57.47 -37.23 72.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 58.6 mt -67.34 -37.26 78.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.145 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -64.13 -36.62 84.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.6 -48.56 77.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.49 83.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 98.3 t -68.1 -51.66 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 60.5 m -67.23 -44.25 79.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.98 -36.42 74.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -49.69 69.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.07 80.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 40.8 t -55.52 -36.29 66.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -20.69 66.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -88.33 158.27 49.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.64 0.733 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 172.59 12.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.258 . . . . 0.0 112.363 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -22.81 20.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -156.56 122.34 2.5 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.631 0.729 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 162.56 41.59 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.255 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -119.53 25.03 10.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 1.5 mt -125.77 140.38 52.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.617 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 1.3 mt-10 -61.44 -52.81 67.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.655 0.741 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.7 Cg_endo -69.75 -28.86 24.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 35.3 t -67.63 -38.08 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -64.92 -46.03 83.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.49 -42.03 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 57.3 m -60.02 -38.38 82.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 3.8 tt -76.02 -29.06 57.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.64 -40.04 66.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 4.1 pp -75.95 -32.64 59.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 8.5 tp -60.73 -50.59 72.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -38.24 90.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.08 -33.78 76.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -36.31 80.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.816 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.09 68.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.052 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.9 -46.03 83.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -64.02 -46.16 85.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -38.11 81.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -47.44 81.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 31.1 t -66.76 -44.82 80.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -60.51 -49.57 77.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 10.5 m -69.47 -35.9 76.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -36.75 63.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -101.64 54.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.36 179.7 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.858 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.4 t -119.77 64.5 8.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.728 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.905 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.1 Cg_endo -69.82 -25.96 27.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.905 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.3 Cg_endo -69.82 -165.14 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.248 . . . . 0.0 112.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.446 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.8 OUTLIER -50.17 156.45 1.38 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.66 0.743 . . . . 0.0 110.861 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.446 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.9 Cg_endo -69.76 -14.88 36.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -92.78 7.79 76.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -50.94 161.63 0.66 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 111.07 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -37.56 9.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.368 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 45.7 t -50.91 147.6 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.83 83.15 5.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -51.89 -35.9 46.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -56.65 -49.33 75.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.95 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.53 -28.03 62.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -58.99 -49.91 76.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 1.1 m -57.93 -37.64 74.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -69.44 -35.01 75.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -70.34 -45.22 66.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.5 m -66.78 -38.92 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 47.2 mt -63.62 -45.45 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -62.19 -45.19 94.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 2.4 t -67.05 -46.65 73.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -63.36 -41.79 98.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -67.43 -35.6 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -68.67 -48.19 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -34.77 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.44 -44.12 79.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -63.97 -33.45 75.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.88 -27.01 67.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.02 -31.53 69.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -66.4 -39.44 89.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -74.04 -31.31 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 1.3 tt -78.78 -37.71 40.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.7 p -73.21 -32.21 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.1 t -77.17 -35.14 56.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.56 -39.16 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 42.3 p -69.13 -40.99 77.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 88.6 m -65.75 -49.15 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -63.19 -33.32 75.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -53.16 157.8 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.13 5.81 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -72.32 133.3 44.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.796 0.331 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -89.04 -177.49 5.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 128.76 169.19 12.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.53 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.59 160.93 0.92 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.594 0.712 . . . . 0.0 110.829 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 152.02 69.16 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.45 136.95 20.67 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.579 0.704 . . . . 0.0 110.933 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -48.95 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.296 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -108.07 -132.42 6.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.77 156.76 68.0 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 0.0 110.9 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -52.12 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' SER . . . . . . . . . . . . . 2.7 m -124.14 120.24 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.5 m -66.16 -53.3 39.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -58.03 -48.46 80.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.78 -36.5 37.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' VAL . . . . . . . . . . . . . 89.5 t -70.11 -46.81 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.03 -53.38 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' LEU . . . . . . . . . . . . . 4.6 pp -63.34 -29.56 70.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.927 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -69.74 -37.26 76.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.27 -44.02 16.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -57.74 -36.7 72.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -71.63 -30.52 65.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' VAL . . . . . . . . . . . . . 76.3 t -62.95 -46.78 95.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' THR . . . . . . . . . . . . . 69.0 p -59.53 -37.15 77.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -68.37 -43.09 78.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -60.84 -36.44 79.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' ILE . . . . . . . . . . . . . 15.9 mt -67.13 -38.19 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -33.56 67.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -60.36 -37.36 80.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -39.14 72.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.29 -49.55 59.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -60.31 -37.19 79.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.34 -31.73 72.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.68 -49.15 50.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -63.24 -32.3 73.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -86.84 -3.16 59.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 61.51 72.25 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -132.51 74.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -60.18 -29.72 68.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -71.45 -22.87 61.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -6.55 54.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -71.6 -39.92 70.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 681' ' ' VAL . . . . . 0.556 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -52.47 -56.31 23.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.74 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 682' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.1 Cg_endo -69.74 -43.91 2.4 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 683' ' ' CYS . . . . . . . . . . . . . 12.3 m -57.35 -34.16 68.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 2.5 p -74.71 -44.27 50.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.06 -41.62 90.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -58.36 -36.52 73.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 687' ' ' ILE . . . . . . . . . . . . . 46.8 mt -68.17 -37.53 78.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -62.78 -36.54 83.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.74 -50.38 72.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.45 79.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 691' ' ' VAL . . . . . . . . . . . . . 96.8 t -67.7 -51.37 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 97.5 m -66.78 -42.91 85.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.88 -39.03 80.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 1.3 ttm -65.31 -49.63 68.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.96 82.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 11.6 t -55.27 -35.93 65.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.95 -21.72 66.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 698' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -87.5 154.18 53.61 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.679 0.752 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.18 66.45 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -20.93 31.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.05 88.72 30.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.62 0.724 . . . . 0.0 110.823 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 158.81 55.67 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.754 2.303 . . . . 0.0 112.315 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -109.84 11.24 24.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.83 136.17 45.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 705' ' ' GLU . . . . . 0.644 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 0.8 OUTLIER -62.26 -51.4 74.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.63 0.728 . . . . 0.0 110.868 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 706' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.79 -28.2 25.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 18.1 t -67.48 -36.01 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -46.44 78.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 14.9 m -75.36 -37.9 60.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 4.8 m -59.12 -35.0 72.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.61 -29.53 68.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -72.98 -48.58 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 3.0 pp -72.13 -42.12 66.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 714' ' ' LEU . . . . . . . . . . . . . 21.1 tp -58.48 -51.1 71.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -65.13 -41.38 94.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.61 -33.77 76.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -46.87 87.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.41 98.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -41.01 77.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 39.1 mtt85 -64.69 -42.98 94.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.22 -48.67 69.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -34.93 79.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 4.9 m -66.39 -37.82 86.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -68.96 -49.14 60.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 40.4 m -62.85 -27.75 69.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.59 -36.88 62.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -96.04 53.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 1.1 p -91.88 179.13 5.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 729' ' ' VAL . . . . . 0.886 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 0.9 OUTLIER -117.71 67.37 5.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 111.13 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 730' ' ' PRO . . . . . 0.907 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.9 Cg_endo -69.71 -25.25 29.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 731' ' ' PRO . . . . . 0.907 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.2 Cg_endo -69.78 -88.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 732' ' ' GLU . . . . . 0.404 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 1.2 pt-20 -134.75 154.95 79.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.736 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.9 Cg_endo -69.8 -16.06 37.2 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.235 . . . . 0.0 112.352 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -77.57 -11.73 85.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 735' ' ' ALA . . . . . . . . . . . . . . . -51.93 161.48 0.93 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.639 0.733 . . . . 0.0 111.061 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 736' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -8.49 23.73 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.378 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 98.6 t -87.86 112.78 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.46 101.78 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -61.83 -37.78 85.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -59.74 -51.03 71.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.03 -27.59 68.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.72 -47.32 84.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 27.0 m -57.95 -37.61 74.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -69.69 -34.88 74.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -70.4 -45.08 66.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.1 m -66.73 -38.62 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 47.6 mt -63.68 -44.92 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.09 -46.65 88.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 85.3 m -67.62 -42.19 82.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.12 -42.29 94.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.43 -35.89 80.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -69.95 -48.5 58.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.19 -34.69 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.6 -44.12 78.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -32.01 65.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.88 -29.03 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.79 -30.9 70.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -58.82 -38.34 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.35 -29.36 62.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -39.38 38.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.38 -35.68 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.1 t -72.21 -34.8 68.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.0 mm -66.77 -40.54 86.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 764' ' ' THR . . . . . . . . . . . . . 74.2 p -69.01 -41.59 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 91.5 m -65.38 -49.01 70.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -65.45 -32.65 74.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -58.78 153.44 16.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.23 32.93 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.6 -172.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.922 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.685 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.817 0.257 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.533 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.8 OUTLIER -94.31 135.51 24.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.572 0.701 . . . . 0.0 110.867 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -49.11 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.724 2.283 . . . . 0.0 112.329 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -113.82 -148.85 10.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.703 HD23 ' CE2' ' A' ' 698' ' ' PHE . 0.5 OUTLIER -104.37 152.69 39.32 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.651 0.739 . . . . 0.0 110.912 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.267 . . . . 0.0 112.369 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 654' ' ' VAL . 5.1 m -123.78 120.61 33.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.43 -53.35 44.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -58.43 -48.41 80.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.525 ' HA ' HD21 ' A' ' 656' ' ' LEU . 37.4 m-20 -51.39 -36.68 44.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.791 HG11 HG21 ' A' ' 764' ' ' THR . 85.4 t -69.2 -47.25 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.46 -52.94 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.37 -29.93 70.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.734 ' O ' HG23 ' A' ' 661' ' ' VAL . 4.4 mmtp -70.93 -36.75 72.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.427 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.4 OUTLIER -82.42 -44.42 16.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -57.78 -36.36 72.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -71.8 -30.92 66.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 657' ' ' LYS . 73.5 t -63.76 -45.05 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.661 ' HA ' HD12 ' A' ' 665' ' ' ILE . 68.3 p -60.86 -37.66 82.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.35 -43.06 78.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -60.97 -34.45 74.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.661 HD12 ' HA ' ' A' ' 662' ' ' THR . 16.5 mt -69.31 -39.92 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -55.79 -34.43 65.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -61.29 -38.97 88.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.07 -38.41 72.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.558 HD21 ' CB ' ' A' ' 750' ' ' ALA . 24.1 mt -70.04 -49.16 54.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -60.44 -37.1 79.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' A' ' 676' ' ' LYS . . . -68.26 -29.03 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.732 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.13 -48.98 48.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -64.21 -26.49 68.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -95.46 7.84 45.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 51.76 73.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.421 ' HB2' ' HB1' ' A' ' 671' ' ' ALA . 14.2 mmmt -128.85 66.0 1.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -55.59 -33.44 63.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -71.41 -22.24 61.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 75.5 m -91.21 -5.27 55.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 680' ' ' PHE . . . . . 0.742 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -72.08 -36.55 69.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.563 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.72 -56.15 33.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.749 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.0 Cg_endo -69.76 -42.63 3.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.645 2.23 . . . . 0.0 112.334 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.72 ' HB3' HD22 ' A' ' 668' ' ' LEU . 10.9 m -58.24 -38.96 77.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 1.4 t -75.02 -32.34 61.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.15 -47.53 64.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -58.3 -33.53 69.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.455 HD11 ' HB2' ' A' ' 668' ' ' LEU . 66.3 mt -68.75 -37.77 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -64.77 -36.75 85.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.75 -46.77 81.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.66 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.19 -36.59 84.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.724 HG13 ' HG ' ' A' ' 714' ' ' LEU . 89.5 t -68.27 -51.47 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 51.6 m -67.15 -43.54 82.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.92 -42.64 94.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -50.1 66.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.79 79.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -36.57 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -62.87 -20.79 65.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.703 ' CE2' HD23 ' A' ' 648' ' ' LEU . 88.2 m-85 -88.32 153.94 51.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.672 0.749 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.89 20.24 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.67 2.247 . . . . 0.0 112.4 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.66 -6.98 50.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.0 92.67 4.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.59 0.709 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 155.13 66.79 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.685 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.9 16.06 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.444 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.3 OUTLIER -111.02 137.14 49.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.653 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 2.9 mt-10 -62.01 -51.7 73.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.635 0.731 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.78 -28.78 24.76 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 20.9 t -66.9 -37.13 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -65.91 -46.05 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 26.3 m -75.16 -36.51 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 710' ' ' SER . . . . . 0.425 ' HB3' HD23 ' A' ' 760' ' ' LEU . 18.4 m -58.99 -34.54 71.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.05 -29.78 67.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -72.6 -48.32 40.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.545 HD13 ' HB1' ' A' ' 756' ' ' ALA . 3.3 pp -71.74 -40.33 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.724 ' HG ' HG13 ' A' ' 691' ' ' VAL . 4.3 tp -61.46 -51.21 69.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -64.88 -40.32 94.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -66.98 -33.83 76.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -48.15 81.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 718' ' ' ALA . . . . . 0.664 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -68.72 -29.94 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -45.97 58.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -45.3 93.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -40.63 89.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -47.12 78.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 17.1 t -66.25 -38.5 88.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.14 -49.57 55.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 725' ' ' CYS . . . . . 0.715 ' O ' HG23 ' A' ' 728' ' ' THR . 18.3 m -69.44 -27.8 65.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -53.79 -36.79 62.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.82 70.41 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 725' ' ' CYS . 3.7 p -90.55 -177.63 5.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.657 0.742 . . . . 0.0 111.125 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 50.0 p90 . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -60.07 -41.95 93.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -27.82 61.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -49.66 76.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 743' ' ' THR . . . . . 0.732 HG23 ' HB1' ' A' ' 672' ' ' ALA . 1.3 m -57.97 -37.46 74.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -69.6 -35.0 74.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -70.23 -45.06 67.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 746' ' ' VAL . . . . . 0.742 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.0 m -66.99 -38.85 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.66 -46.81 91.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -61.85 -46.11 90.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 5.6 t -66.72 -47.8 71.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 750' ' ' ALA . . . . . 0.558 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -61.74 -42.2 98.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.37 -35.82 80.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.03 -48.26 63.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 753' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.05 -34.74 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 754' ' ' ALA . . . . . 0.486 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.63 -44.18 78.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -71.92 -35.23 69.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 756' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -60.84 -26.91 67.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.62 -32.37 65.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 758' ' ' LYS . . . . . 0.403 ' HA ' HG12 ' A' ' 761' ' ' VAL . 15.2 mtpt -58.79 -38.31 78.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -72.99 -28.48 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 760' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 764' ' ' THR . 0.3 OUTLIER -78.51 -39.26 38.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.427 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.4 p -71.62 -36.49 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.2 t -70.84 -33.64 70.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.71 -38.96 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.791 HG21 HG11 ' A' ' 654' ' ' VAL . 29.3 p -68.97 -41.99 77.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 95.9 m -66.03 -49.1 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -65.15 -31.56 72.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.691 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.777 0.24 . . . . 0.0 112.351 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 2.7 t70 -96.72 136.83 21.52 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.544 0.688 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.13 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.32 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -111.21 -144.71 9.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.683 HD22 HG21 ' A' ' 654' ' ' VAL . 0.4 OUTLIER -113.01 152.46 44.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.572 0.701 . . . . 0.0 110.943 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.638 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.9 m -123.46 120.57 33.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.7 m -65.7 -52.49 50.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.68 -48.26 80.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.539 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.5 t70 -51.1 -37.09 43.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.778 HG11 HG21 ' A' ' 764' ' ' THR . 95.9 t -69.28 -46.72 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.82 -52.81 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.7 pp -64.01 -30.94 71.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.737 ' O ' HG23 ' A' ' 661' ' ' VAL . 1.4 mmtt -70.63 -36.32 73.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.96 -44.18 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.85 -36.65 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -71.63 -30.73 66.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.793 HG22 ' HB1' ' A' ' 690' ' ' ALA . 71.1 t -64.17 -46.06 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.688 ' HA ' HD12 ' A' ' 665' ' ' ILE . 75.8 p -59.63 -35.84 75.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.27 -43.88 76.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -60.73 -36.99 80.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.0 mt -66.22 -40.59 87.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -34.49 66.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.31 -38.27 86.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.33 -39.33 71.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.545 HD21 ' CB ' ' A' ' 750' ' ' ALA . 23.5 mt -69.64 -49.34 54.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -60.01 -36.96 78.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -70.09 -30.1 67.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.415 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.8 -49.15 49.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -62.32 -38.25 88.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -80.78 -2.9 49.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 61.49 73.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -132.25 75.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -60.41 -29.98 69.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -71.4 -22.77 61.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.93 -6.72 53.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 680' ' ' PHE . . . . . 0.741 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.2 m-30 -71.48 -34.4 70.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.569 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -58.22 -56.23 37.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.4 Cg_endo -69.77 -43.28 2.74 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.632 2.221 . . . . 0.0 112.36 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.694 ' HB3' HD22 ' A' ' 668' ' ' LEU . 15.5 m -58.15 -37.17 74.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 2.1 t -75.46 -32.19 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -71.86 -47.34 53.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -57.58 -35.82 70.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.541 ' O ' HG23 ' A' ' 691' ' ' VAL . 58.0 mt -67.44 -37.3 78.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -64.89 -36.8 85.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.6 mt -57.18 -49.28 76.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.793 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.81 -36.39 83.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.7 HG13 ' HG ' ' A' ' 714' ' ' LEU . 98.1 t -68.59 -51.5 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 92.0 m -67.11 -43.66 81.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.94 -35.59 73.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 694' ' ' MET . . . . . 0.45 ' O ' HD23 ' A' ' 697' ' ' LEU . 3.0 ttp -65.15 -50.67 65.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -52.78 -36.75 58.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 30.5 t -55.9 -32.47 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.7 -20.98 65.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.615 ' CE1' HD23 ' A' ' 648' ' ' LEU . 88.6 m-85 -96.94 155.44 37.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 174.12 10.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -24.01 21.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -150.11 117.81 3.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 110.809 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.31 38.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.691 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -120.33 21.01 11.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.42 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.3 OUTLIER -119.9 139.98 51.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.638 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 10.7 mt-10 -61.46 -52.69 68.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.738 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.5 Cg_endo -69.76 -29.51 23.75 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 28.4 t -66.74 -38.54 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -65.32 -46.23 81.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 58.1 m -73.42 -39.46 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 34.7 m -59.29 -29.84 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.17 -29.95 63.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -72.3 -48.38 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.4 pp -70.49 -39.19 74.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.7 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.5 tp -63.67 -51.26 65.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -65.17 -46.06 82.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.84 76.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -42.64 99.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 718' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -73.02 -30.0 63.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -71.45 -46.06 61.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 17.6 mtt85 -62.6 -43.83 97.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -40.15 88.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -47.05 78.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 31.2 t -66.57 -38.45 87.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -69.14 -49.94 52.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 725' ' ' CYS . . . . . 0.733 ' O ' HG23 ' A' ' 728' ' ' THR . 17.6 m -69.45 -27.87 65.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -53.69 -36.76 62.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -103.83 70.69 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 725' ' ' CYS . 5.1 p -88.79 -177.85 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.683 0.754 . . . . 0.0 111.124 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.747 0.308 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -56.36 -43.25 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -27.9 61.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -49.45 77.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 743' ' ' THR . . . . . 0.415 HG23 ' HB1' ' A' ' 672' ' ' ALA . 0.2 OUTLIER -57.99 -37.91 75.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -69.06 -34.99 76.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -70.01 -45.0 68.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 746' ' ' VAL . . . . . 0.741 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.3 m -67.87 -39.01 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.0 mt -64.59 -49.3 81.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -62.1 -45.92 91.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 71.7 m -65.08 -47.9 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 750' ' ' ALA . . . . . 0.545 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -63.1 -42.0 99.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.042 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.48 -35.76 79.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.33 -48.28 61.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 753' ' ' ILE . . . . . 0.505 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.06 -34.8 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.084 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 754' ' ' ALA . . . . . 0.456 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.72 -43.93 78.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -66.08 -32.91 74.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.89 -26.96 67.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -64.52 -30.13 71.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 758' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 761' ' ' VAL . 9.2 mtpt -66.72 -39.85 88.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -73.99 -31.28 62.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 760' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 764' ' ' THR . 0.4 OUTLIER -78.94 -37.8 38.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 758' ' ' LYS . 7.0 p -72.96 -32.26 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.2 t -76.93 -35.19 57.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.9 mm -66.57 -38.79 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.778 HG21 HG11 ' A' ' 654' ' ' VAL . 43.0 p -67.96 -43.35 79.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.4 m -66.16 -49.19 68.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -24.23 62.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.719 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.778 0.241 . . . . 0.0 112.364 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.54 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 2.1 t70 -92.78 134.29 27.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.551 0.691 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -49.19 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.303 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 647' ' ' GLY . . . . . 0.555 ' C ' HD23 ' A' ' 648' ' ' LEU . . . -116.42 -131.5 4.76 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.819 HD13 HG21 ' A' ' 654' ' ' VAL . 0.3 OUTLIER -124.98 154.28 71.22 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.639 0.733 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -51.76 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.326 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.71 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.4 m -124.22 120.7 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.78 -53.07 45.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.135 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -57.92 -48.66 79.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.49 ' HA ' HD21 ' A' ' 656' ' ' LEU . 3.1 t0 -51.25 -35.96 39.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.819 HG21 HD13 ' A' ' 648' ' ' LEU . 98.1 t -70.08 -46.94 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.64 -53.26 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 653' ' ' ASP . 4.4 pp -64.46 -29.25 70.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.745 ' O ' HG23 ' A' ' 661' ' ' VAL . 3.4 mmtm -71.17 -36.6 72.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.445 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.5 -44.37 16.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -57.58 -36.18 71.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -71.79 -30.49 65.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.841 HG22 ' HB1' ' A' ' 690' ' ' ALA . 72.6 t -63.06 -47.4 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.711 ' HA ' HD12 ' A' ' 665' ' ' ILE . 68.9 p -58.92 -36.5 74.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -68.25 -44.67 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -60.67 -31.75 70.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 662' ' ' THR . 17.5 mt -72.19 -38.14 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.67 -34.9 69.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -36.1 79.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.09 -38.02 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.67 -49.02 64.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -60.51 -37.24 80.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -66.69 -32.84 74.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.416 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.29 -49.14 45.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -62.72 -24.08 67.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -95.21 10.81 34.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 51.48 66.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -129.22 85.6 2.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -64.94 -38.55 91.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.37 -23.46 63.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 39.5 m -75.49 -15.02 60.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -71.95 -35.34 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -54.84 -57.26 20.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.8 Cg_endo -69.75 -44.54 2.03 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.246 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.701 ' HB3' HD22 ' A' ' 668' ' ' LEU . 23.3 m -59.97 -33.77 72.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 65.0 m -75.52 -32.42 60.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.58 -48.32 64.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -58.67 -39.14 79.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 691' ' ' VAL . 57.6 mt -65.53 -37.33 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -63.43 -37.16 86.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.44 -50.3 73.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.841 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.36 -36.47 82.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.771 HG13 ' HG ' ' A' ' 714' ' ' LEU . 92.1 t -67.96 -51.42 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 94.6 m -67.19 -43.32 82.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.94 -38.95 80.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -49.58 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.34 83.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 43.4 t -55.41 -38.13 68.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.78 -21.01 65.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.443 ' CE1' HD22 ' A' ' 648' ' ' LEU . 72.5 m-85 -94.65 153.64 40.16 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.584 0.707 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 176.61 6.52 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.391 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -3.78 37.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 701' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 702' ' ' PRO . 6.9 ttm180 -154.29 93.53 2.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 702' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 701' ' ' ARG . 53.7 Cg_endo -69.79 159.34 53.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.719 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.35 7.44 20.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.49 136.74 38.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.642 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 1.9 mt-10 -61.71 -51.57 75.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.3 Cg_endo -69.8 -29.11 24.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.64 2.226 . . . . 0.0 112.337 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.68 -36.45 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -65.31 -46.08 81.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 43.2 m -75.27 -39.6 59.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 43.8 t -59.31 -32.73 70.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -29.7 68.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -72.61 -48.31 40.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.4 pp -72.14 -39.95 68.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.771 ' HG ' HG13 ' A' ' 691' ' ' VAL . 2.0 tp -62.97 -51.05 68.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.08 -41.14 95.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.92 76.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 1.7 m -61.9 -48.04 82.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.88 68.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -74.79 -45.38 43.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -62.01 -45.36 93.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -38.93 83.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.96 -45.59 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 6.1 t -66.16 -37.73 86.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -66.84 -49.38 65.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 725' ' ' CYS . . . . . 0.6 ' O ' HG23 ' A' ' 728' ' ' THR . 12.3 p -69.17 -27.02 65.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -36.93 84.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 727' ' ' LYS . . . . . 0.467 ' O ' HD21 ' A' ' 742' ' ' LEU . 1.0 OUTLIER -105.71 74.11 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 725' ' ' CYS . 50.7 p -102.59 -175.77 2.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.656 0.741 . . . . 0.0 111.122 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 52.3 p90 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.794 0.331 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -60.21 -43.91 95.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.7 -28.54 61.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.3 OUTLIER -58.87 -50.96 72.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 743' ' ' THR . . . . . 0.459 HG22 HD11 ' A' ' 747' ' ' ILE . 1.8 m -59.83 -36.55 77.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -69.59 -35.18 75.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -70.02 -45.44 67.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.4 m -66.55 -38.75 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 747' ' ' ILE . . . . . 0.459 HD11 HG22 ' A' ' 743' ' ' THR . 56.3 mt -66.3 -49.93 71.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -59.51 -46.44 88.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 93.7 m -63.74 -44.58 93.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.32 94.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -67.8 -35.76 79.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -70.0 -48.47 57.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 753' ' ' ILE . . . . . 0.413 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.0 -34.19 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 754' ' ' ALA . . . . . 0.527 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.35 -44.0 80.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -29.01 70.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -68.76 -34.24 75.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -62.01 -33.66 74.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 758' ' ' LYS . . . . . 0.411 ' HA ' HG12 ' A' ' 761' ' ' VAL . 10.7 mtpt -66.78 -39.59 87.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.11 -31.53 62.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 1.3 tt -78.69 -37.61 41.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.445 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.1 p -73.22 -32.27 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.2 t -77.14 -35.17 56.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.49 -41.85 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.575 HG21 HG11 ' A' ' 654' ' ' VAL . 75.4 p -69.03 -41.05 78.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 89.3 m -65.54 -48.36 72.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -65.63 -31.71 72.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.884 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.705 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.793 0.247 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.475 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 2.4 t70 -97.28 136.88 21.22 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.631 0.729 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.1 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.248 . . . . 0.0 112.302 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -106.38 -147.86 15.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.845 HD13 HG21 ' A' ' 654' ' ' VAL . 0.2 OUTLIER -113.14 157.35 41.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 110.915 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -52.26 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.287 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.595 ' O ' HG23 ' A' ' 654' ' ' VAL . 6.2 m -124.4 119.88 30.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -66.42 -53.22 38.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.122 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -57.65 -47.54 81.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.525 ' HA ' HD21 ' A' ' 656' ' ' LEU . 11.3 m-20 -50.71 -37.22 40.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.845 HG21 HD13 ' A' ' 648' ' ' LEU . 85.9 t -69.24 -47.1 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.83 -52.62 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -65.08 -30.23 71.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.739 ' O ' HG23 ' A' ' 661' ' ' VAL . 4.5 mmtp -71.28 -36.81 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.576 HG21 ' CG2' ' A' ' 761' ' ' VAL . 0.8 OUTLIER -82.02 -44.53 16.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -57.45 -36.46 71.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.414 HE21 ' HB2' ' A' ' 690' ' ' ALA . 14.9 pt20 -71.92 -30.77 65.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 657' ' ' LYS . 68.1 t -63.72 -45.54 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.72 ' HA ' HD12 ' A' ' 665' ' ' ILE . 72.4 p -60.72 -36.91 80.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.31 -44.14 76.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -60.8 -35.4 76.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.72 HD12 ' HA ' ' A' ' 662' ' ' THR . 14.4 mt -67.43 -37.97 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.09 -34.55 72.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -61.43 -36.24 79.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.8 -37.89 73.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.38 -49.03 65.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -60.42 -37.46 80.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.61 71.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.567 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.62 -49.29 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -64.37 -23.53 67.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -93.2 10.02 33.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 51.65 62.87 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -127.1 84.27 2.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -64.86 -38.67 91.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.32 -22.89 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 34.1 m -75.48 -14.94 60.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -71.61 -35.39 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.545 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.11 -57.26 20.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.647 0.737 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.8 Cg_endo -69.74 -44.69 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.744 2.296 . . . . 0.0 112.324 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.729 ' HB3' HD22 ' A' ' 668' ' ' LEU . 25.8 m -59.74 -35.08 73.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 684' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 687' ' ' ILE . 9.9 t -74.69 -32.2 62.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -69.72 -47.63 62.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -58.6 -34.32 70.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.48 HD12 HD23 ' A' ' 668' ' ' LEU . 52.8 mt -68.67 -37.78 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.116 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 688' ' ' HIS . . . . . 0.565 ' CD2' ' HB1' ' A' ' 718' ' ' ALA . 59.4 t-80 -64.13 -36.57 84.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.9 -48.06 79.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.697 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.09 -36.7 84.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.762 HG13 ' HG ' ' A' ' 714' ' ' LEU . 96.1 t -67.31 -51.77 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 59.5 m -67.45 -43.12 81.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.25 -43.1 99.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 1.7 ttt -65.08 -50.06 67.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.35 83.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 20.0 t -55.82 -36.98 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -63.08 -22.94 67.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.625 ' CE2' HD22 ' A' ' 648' ' ' LEU . 48.3 m-85 -86.25 151.6 54.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.32 64.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -20.11 40.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -130.33 87.12 51.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.16 69.23 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.705 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -112.84 20.93 16.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.449 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.3 OUTLIER -116.86 137.9 51.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.648 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 12.3 mt-10 -61.57 -51.92 73.4 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.707 0.765 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.7 Cg_endo -69.81 -29.53 23.46 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.1 t -66.75 -39.05 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -65.68 -46.03 80.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 59.0 m -73.47 -37.06 65.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 5.2 t -59.01 -34.55 72.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -29.8 68.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -72.48 -48.49 40.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.81 HD13 ' HB1' ' A' ' 756' ' ' ALA . 3.3 pp -71.52 -40.53 70.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.762 ' HG ' HG13 ' A' ' 691' ' ' VAL . 19.4 tp -64.62 -50.45 67.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -65.15 -40.57 94.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.12 -33.83 76.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -48.1 82.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 718' ' ' ALA . . . . . 0.565 ' HB1' ' CD2' ' A' ' 688' ' ' HIS . . . -63.11 -29.93 71.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -76.52 -46.01 28.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -60.96 -44.18 97.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -44.98 94.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -56.95 -34.89 68.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -37.57 85.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.9 -49.38 58.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 725' ' ' CYS . . . . . 0.494 ' O ' HG23 ' A' ' 728' ' ' THR . 7.2 p -65.39 -26.64 68.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -49.1 77.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 727' ' ' LYS . . . . . 0.654 ' O ' HD21 ' A' ' 742' ' ' LEU . 6.1 mtmt -96.05 71.25 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 725' ' ' CYS . 14.4 p -100.33 -177.75 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.648 0.737 . . . . 0.0 111.121 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 1.9 p90 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -67.93 -45.79 73.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -29.26 61.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.654 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.2 OUTLIER -58.97 -50.23 74.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 743' ' ' THR . . . . . 0.567 HG23 ' HB1' ' A' ' 672' ' ' ALA . 3.4 m -58.12 -32.84 68.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -69.23 -35.42 76.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -69.19 -45.14 70.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.6 m -67.86 -38.85 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 747' ' ' ILE . . . . . 0.557 ' CD1' HG22 ' A' ' 743' ' ' THR . 60.4 mt -66.99 -50.26 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -59.18 -46.35 88.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 2.1 t -64.79 -48.16 75.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.93 92.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -67.75 -35.66 79.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -70.53 -48.21 56.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -34.19 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 754' ' ' ALA . . . . . 0.587 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.25 -44.13 80.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -74.09 -37.13 64.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 756' ' ' ALA . . . . . 0.81 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -61.83 -26.97 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.11 -22.14 61.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 758' ' ' LYS . . . . . 0.527 ' HA ' HG12 ' A' ' 761' ' ' VAL . 7.7 mtpt -68.46 -30.28 69.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -73.22 -41.26 63.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 760' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 761' ' ' VAL . 4.4 pp -77.87 -29.03 50.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.644 ' N ' HD12 ' A' ' 760' ' ' LEU . 1.4 p -80.73 -30.95 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 10.7 t -78.81 -32.64 46.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.39 -38.93 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 760' ' ' LEU . 72.1 p -67.62 -43.35 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.7 m -66.38 -48.99 68.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -22.52 61.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.911 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.69 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.813 0.255 . . . . 0.0 112.287 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.9 OUTLIER -97.57 137.34 21.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.654 0.74 . . . . 0.0 110.869 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 646' ' ' PRO . . . . . 0.483 ' O ' HD13 ' A' ' 704' ' ' LEU . 54.2 Cg_endo -69.72 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.242 . . . . 0.0 112.405 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 647' ' ' GLY . . . . . 0.489 ' C ' HD13 ' A' ' 648' ' ' LEU . . . -107.97 -149.7 14.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.561 HD12 ' CE2' ' A' ' 698' ' ' PHE . 0.3 OUTLIER -107.48 152.36 41.32 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.58 0.705 . . . . 0.0 110.909 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.6 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 654' ' ' VAL . 3.1 m -123.55 120.49 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.55 -53.29 44.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.108 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -48.22 80.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.517 ' HA ' HD21 ' A' ' 656' ' ' LEU . 57.4 m-20 -51.57 -37.05 47.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.733 HG11 HG21 ' A' ' 764' ' ' THR . 96.6 t -69.19 -47.19 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.19 -52.63 53.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.517 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.85 -30.25 71.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.729 ' O ' HG23 ' A' ' 661' ' ' VAL . 1.5 mmtt -71.08 -36.67 72.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.31 -44.39 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -36.5 71.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -71.61 -30.84 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 657' ' ' LYS . 79.0 t -64.14 -44.86 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.713 ' HA ' HD12 ' A' ' 665' ' ' ILE . 82.2 p -61.18 -36.8 80.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.3 -44.65 75.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -60.81 -31.92 71.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.7 mt -71.52 -37.78 65.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.58 -34.25 75.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.13 -36.72 80.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.09 -38.14 72.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 669' ' ' LEU . 4.2 mm? -66.7 -49.14 67.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -60.41 -37.41 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.05 -32.61 73.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.563 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.74 -48.91 51.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -64.06 -26.0 68.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.958 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -96.76 7.99 45.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 51.68 73.77 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -129.9 67.03 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -55.78 -32.56 63.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -71.39 -22.53 61.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 48.7 m -90.75 -5.73 55.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 680' ' ' PHE . . . . . 0.733 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -72.14 -35.22 69.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.561 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -56.1 -56.49 30.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.612 0.72 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.8 -44.93 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.724 2.282 . . . . 0.0 112.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.736 ' HB3' HD22 ' A' ' 668' ' ' LEU . 29.2 m -59.21 -39.81 83.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 684' ' ' SER . . . . . 0.427 ' HA ' HD12 ' A' ' 687' ' ' ILE . 6.7 t -74.78 -32.25 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -72.21 -46.99 53.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -57.53 -33.55 68.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.485 HD12 HD23 ' A' ' 668' ' ' LEU . 52.9 mt -68.04 -37.55 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 688' ' ' HIS . . . . . 0.55 ' HA ' ' HB1' ' A' ' 718' ' ' ALA . 38.6 t-80 -65.82 -37.12 85.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 6.2 mt -56.92 -45.63 82.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.682 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.02 -36.58 84.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.827 HG21 ' HB2' ' A' ' 718' ' ' ALA . 94.1 t -69.38 -51.38 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 63.5 m -66.39 -42.99 87.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.91 -37.64 77.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -50.07 67.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -60.28 -36.19 77.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 4.6 t -55.98 -32.36 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.458 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -70.27 -20.84 63.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.561 ' CE2' HD12 ' A' ' 648' ' ' LEU . 41.5 m-85 -84.97 158.09 59.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 167.31 24.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -29.76 14.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -148.56 121.09 4.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.586 0.707 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.67 30.18 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.69 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -122.27 25.14 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.561 HD23 HG23 ' A' ' 707' ' ' VAL . 1.2 tp -125.48 139.73 53.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.647 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 2.3 mt-10 -61.32 -51.97 74.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.734 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.77 -29.67 23.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 707' ' ' VAL . . . . . 0.561 HG23 HD23 ' A' ' 704' ' ' LEU . 24.8 t -66.77 -38.95 82.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -65.41 -46.2 80.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 67.1 m -72.79 -39.35 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 3.4 t -59.36 -29.95 68.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.05 -30.02 63.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -72.28 -48.12 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.4 pp -70.89 -39.37 72.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.669 ' HG ' HG13 ' A' ' 691' ' ' VAL . 5.0 tp -61.86 -51.12 69.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.961 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -65.14 -40.07 93.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.87 -34.03 77.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -48.08 82.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 718' ' ' ALA . . . . . 0.827 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -73.06 -39.39 65.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.03 -36.54 84.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 10.9 mtt85 -71.7 -42.2 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -47.0 85.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -41.02 99.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 30.3 t -66.02 -43.63 87.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -68.63 -48.89 62.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 725' ' ' CYS . . . . . 0.497 ' O ' HG23 ' A' ' 728' ' ' THR . 33.2 m -66.94 -27.71 67.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -36.8 66.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -102.16 37.98 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 725' ' ' CYS . 0.9 OUTLIER -59.99 178.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 729' ' ' VAL . . . . . 0.685 HG11 ' HB3' ' A' ' 739' ' ' PHE . 8.4 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.595 0.712 . . . . 0.0 111.176 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 739' ' ' PHE . . . . . 0.685 ' HB3' HG11 ' A' ' 729' ' ' VAL . 27.7 p90 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.798 0.332 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -62.71 -39.63 94.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.17 -27.83 61.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -51.23 70.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 743' ' ' THR . . . . . 0.563 HG23 ' HB1' ' A' ' 672' ' ' ALA . 1.5 m -57.95 -38.54 76.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -34.57 74.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -71.04 -45.04 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 746' ' ' VAL . . . . . 0.733 HG11 ' CE2' ' A' ' 680' ' ' PHE . 27.2 m -66.86 -38.87 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 747' ' ' ILE . . . . . 0.444 HD11 HG22 ' A' ' 743' ' ' THR . 51.4 mt -65.38 -50.35 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -62.49 -45.92 90.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 52.0 m -64.97 -48.05 75.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 750' ' ' ALA . . . . . 0.446 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -60.26 -41.98 94.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.32 -35.9 80.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -70.23 -48.53 56.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 753' ' ' ILE . . . . . 0.424 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.16 -34.53 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 754' ' ' ALA . . . . . 0.484 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.39 -44.05 79.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -65.93 -37.75 86.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -61.01 -26.97 67.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.06 -43.58 87.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -58.91 -38.16 78.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -28.38 62.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 760' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 764' ' ' THR . 0.2 OUTLIER -78.67 -39.29 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.61 -36.48 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.3 t -70.53 -33.0 70.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.49 -41.52 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.733 HG21 HG11 ' A' ' 654' ' ' VAL . 19.5 p -69.01 -41.43 77.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 86.2 m -64.04 -48.49 76.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -67.86 -32.09 72.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.721 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.799 0.25 . . . . 0.0 112.342 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.512 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 6.6 t70 -94.05 135.22 24.86 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -49.01 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.393 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 647' ' ' GLY . . . . . 0.466 ' C ' HD13 ' A' ' 648' ' ' LEU . . . -110.79 -148.68 11.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.596 HD12 ' CE2' ' A' ' 698' ' ' PHE . 0.3 OUTLIER -105.74 152.81 40.23 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.563 0.697 . . . . 0.0 110.95 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.694 ' O ' HG23 ' A' ' 654' ' ' VAL . 9.6 m -123.9 119.93 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.3 m -66.13 -53.6 35.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.71 -48.59 80.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.529 ' HA ' HD21 ' A' ' 656' ' ' LEU . 3.7 t70 -50.95 -36.8 40.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.771 HG11 HG21 ' A' ' 764' ' ' THR . 78.3 t -69.29 -47.23 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.63 -52.87 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.529 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.29 -30.01 71.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 661' ' ' VAL . 1.5 mmtt -70.85 -36.96 73.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.666 HG22 ' HB1' ' A' ' 757' ' ' ALA . 0.4 OUTLIER -82.14 -44.48 16.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -57.94 -36.41 72.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 3.1 pt20 -71.78 -31.11 66.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 657' ' ' LYS . 68.5 t -63.39 -45.56 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.699 ' HA ' HD12 ' A' ' 665' ' ' ILE . 81.9 p -60.44 -37.02 79.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.5 -42.24 78.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 664' ' ' ASN . . . . . 0.44 ' ND2' ' HG3' ' A' ' 686' ' ' LYS . 3.2 m120 -62.81 -31.13 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 662' ' ' THR . 17.1 mt -72.56 -38.13 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -55.76 -34.79 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.54 -38.07 86.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.726 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.88 -38.31 73.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.532 HD21 ' CB ' ' A' ' 750' ' ' ALA . 22.7 mt -69.3 -49.18 58.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.79 -37.15 80.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.95 -30.51 68.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.417 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.89 -49.14 49.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -62.69 -37.03 84.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -81.78 -3.03 52.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 61.61 73.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -132.3 75.07 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -60.39 -29.83 69.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -71.44 -22.79 61.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.97 -6.39 54.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 680' ' ' PHE . . . . . 0.747 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -71.67 -37.58 70.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.565 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -54.78 -56.22 29.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.106 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.0 Cg_endo -69.76 -44.23 2.2 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.726 ' HB3' HD22 ' A' ' 668' ' ' LEU . 18.5 m -58.49 -38.89 78.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 3.2 t -74.63 -32.28 62.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.31 -47.38 50.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 686' ' ' LYS . . . . . 0.44 ' HG3' ' ND2' ' A' ' 664' ' ' ASN . 0.7 OUTLIER -58.2 -34.57 70.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.54 HD12 HD23 ' A' ' 668' ' ' LEU . 58.4 mt -68.32 -37.5 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -64.51 -36.8 85.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.3 mt -56.88 -50.38 72.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.611 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -58.97 -36.48 74.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.762 HG21 ' HB2' ' A' ' 718' ' ' ALA . 94.6 t -66.32 -51.36 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 96.5 m -66.54 -41.68 88.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.98 -41.64 88.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 694' ' ' MET . . . . . 0.466 ' HE2' HG13 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -65.25 -49.96 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -60.34 -36.31 77.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -36.21 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.433 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -65.69 -21.95 66.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.596 ' CE2' HD12 ' A' ' 648' ' ' LEU . 47.8 m-85 -86.58 150.88 52.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.653 0.739 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.79 36.97 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.627 2.218 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -9.75 57.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.51 90.06 6.64 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 154.36 67.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.721 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -112.61 15.21 20.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.446 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.3 OUTLIER -111.78 137.26 49.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.655 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 17.4 mt-10 -62.01 -51.77 72.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.667 0.746 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.5 Cg_endo -69.71 -28.41 25.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 18.4 t -67.12 -38.21 80.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -66.16 -45.33 81.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 2.3 t -75.11 -35.07 61.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 9.8 t -58.74 -36.0 73.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.29 -29.82 68.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -72.74 -48.42 38.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.3 pp -71.79 -40.59 69.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.724 ' HG ' HG13 ' A' ' 691' ' ' VAL . 4.6 tp -60.5 -51.26 70.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -65.16 -41.05 95.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.05 -33.79 76.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.068 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -48.18 81.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 718' ' ' ALA . . . . . 0.762 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -71.59 -30.16 65.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -38.49 71.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -72.04 -45.15 61.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -47.17 86.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -62.31 -43.61 98.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 10.0 t -66.32 -38.56 87.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -69.11 -49.5 56.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 725' ' ' CYS . . . . . 0.573 ' O ' HG23 ' A' ' 728' ' ' THR . 66.7 m -69.39 -27.61 65.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -53.6 -36.67 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -106.5 45.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 725' ' ' CYS . 1.4 p -66.88 -177.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 111.122 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 50.1 p90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -55.12 -57.2 12.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 53.9 mt -61.96 -27.63 68.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -51.01 71.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 743' ' ' THR . . . . . 0.453 HG22 HD11 ' A' ' 747' ' ' ILE . 1.5 m -64.84 -36.4 84.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -69.69 -34.81 74.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -70.4 -45.14 66.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 746' ' ' VAL . . . . . 0.747 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.8 m -66.75 -38.71 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 747' ' ' ILE . . . . . 0.453 HD11 HG22 ' A' ' 743' ' ' THR . 53.6 mt -66.13 -50.08 71.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -62.56 -44.06 97.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 6.3 t -66.97 -48.31 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 750' ' ' ALA . . . . . 0.532 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -59.05 -44.04 91.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -67.67 -35.61 79.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -67.59 -48.58 66.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 753' ' ' ILE . . . . . 0.409 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.24 -34.64 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 754' ' ' ALA . . . . . 0.57 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.71 -44.21 78.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -65.05 -31.75 73.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.85 -27.05 67.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 757' ' ' ALA . . . . . 0.666 ' HB1' HG22 ' A' ' 658' ' ' THR . . . -67.99 -29.61 68.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 758' ' ' LYS . . . . . 0.46 ' HA ' HG12 ' A' ' 761' ' ' VAL . 1.5 mmmm -67.28 -37.77 83.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -33.92 62.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 760' ' ' LEU . . . . . 0.648 ' O ' HG23 ' A' ' 764' ' ' THR . 0.3 OUTLIER -78.43 -36.16 45.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.46 HG12 ' HA ' ' A' ' 758' ' ' LYS . 9.6 p -74.3 -32.17 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.5 t -77.52 -34.82 53.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.78 -40.44 85.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.771 HG21 HG11 ' A' ' 654' ' ' VAL . 44.4 p -69.1 -41.47 77.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 95.2 m -65.98 -48.86 69.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.168 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -63.57 -32.97 74.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.702 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.744 0.227 . . . . 0.0 112.365 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.51 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.1 t70 -98.07 136.94 20.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.34 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -117.03 -143.8 7.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.871 HD13 HG21 ' A' ' 654' ' ' VAL . 0.6 OUTLIER -104.5 151.12 39.14 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.548 0.69 . . . . 0.0 110.935 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -51.62 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.662 2.241 . . . . 0.0 112.32 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.719 ' O ' HG23 ' A' ' 654' ' ' VAL . 5.6 m -124.15 121.39 34.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.8 m -64.56 -53.13 52.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 652' ' ' GLU . . . . . 0.448 ' OE2' HD23 ' A' ' 656' ' ' LEU . 0.2 OUTLIER -58.56 -48.12 81.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.539 ' HA ' HD21 ' A' ' 656' ' ' LEU . 4.8 t0 -51.79 -36.41 47.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.871 HG21 HD13 ' A' ' 648' ' ' LEU . 93.3 t -69.16 -47.08 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.61 -52.71 50.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.63 -30.02 71.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.745 ' O ' HG23 ' A' ' 661' ' ' VAL . 4.4 mmtp -70.79 -36.83 73.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.668 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.33 -44.39 16.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.82 -36.36 72.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 3.1 pt20 -71.93 -31.27 66.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 657' ' ' LYS . 67.2 t -62.79 -46.72 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.662 ' HA ' HD12 ' A' ' 665' ' ' ILE . 75.6 p -58.96 -37.53 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.47 -42.23 79.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -60.79 -35.22 75.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 662' ' ' THR . 14.1 mt -70.44 -40.5 77.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -33.88 65.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.67 -35.58 76.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.42 -40.1 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.09 -49.61 49.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -58.78 -36.61 74.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.95 -33.71 74.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.726 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.45 -49.34 42.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -59.91 -20.72 58.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -100.69 11.52 39.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 54.97 65.47 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -129.34 81.62 2.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -64.51 -37.81 88.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.55 -23.09 63.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 34.5 m -75.46 -14.36 60.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -72.16 -38.19 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.538 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -52.14 -57.09 16.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.2 Cg_endo -69.82 -43.11 2.8 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.721 ' HB3' HD22 ' A' ' 668' ' ' LEU . 10.4 m -58.1 -32.16 67.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 4.8 p -75.26 -32.48 61.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.11 -48.16 58.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -58.31 -37.5 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 691' ' ' VAL . 60.3 mt -67.2 -37.37 79.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -63.18 -37.17 86.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.95 -50.08 74.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.619 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.74 -36.48 83.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.767 HG13 ' HG ' ' A' ' 714' ' ' LEU . 87.6 t -68.24 -51.55 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 61.6 m -67.17 -43.16 82.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.03 -37.89 81.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -49.74 68.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -67.18 -36.53 81.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 1.9 m -55.59 -38.46 69.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.458 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.8 -20.53 65.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.548 ' CE1' HD22 ' A' ' 648' ' ' LEU . 69.2 m-85 -102.2 153.69 37.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.676 0.75 . . . . 0.0 110.87 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.22 66.65 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.367 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -15.3 59.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.6 84.46 45.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.639 0.733 . . . . 0.0 110.846 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 163.8 36.9 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.27 . . . . 0.0 112.322 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.702 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.72 20.05 17.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.436 HD13 ' CG2' ' A' ' 707' ' ' VAL . 0.6 OUTLIER -114.04 136.29 53.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.66 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 10.1 mt-10 -62.03 -51.54 74.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.731 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.3 Cg_endo -69.72 -28.68 25.13 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 707' ' ' VAL . . . . . 0.436 ' CG2' HD13 ' A' ' 704' ' ' LEU . 24.4 t -67.75 -35.36 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -65.41 -46.53 79.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.1 m -75.46 -40.54 57.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 710' ' ' SER . . . . . 0.697 ' OG ' HD23 ' A' ' 760' ' ' LEU . 24.4 t -59.3 -28.64 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.35 -27.69 59.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -72.93 -40.7 65.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.708 HD13 ' HB1' ' A' ' 756' ' ' ALA . 4.0 pp -75.91 -33.0 59.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.767 ' HG ' HG13 ' A' ' 691' ' ' VAL . 2.2 tp -67.21 -50.91 59.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -63.35 -44.71 94.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -66.71 -34.3 77.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 2.4 m -62.94 -47.51 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 718' ' ' ALA . . . . . 0.405 ' HB2' HG11 ' A' ' 691' ' ' VAL . . . -67.32 -30.76 70.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -76.65 -38.09 55.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -38.53 70.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -47.16 86.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -34.89 79.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -43.17 93.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -69.15 -49.02 60.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 725' ' ' CYS . . . . . 0.51 ' O ' HG23 ' A' ' 728' ' ' THR . 62.5 m -65.91 -27.9 68.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 20.0 tpp85 -57.99 -36.97 73.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 727' ' ' LYS . . . . . 0.489 ' O ' HD21 ' A' ' 742' ' ' LEU . 0.3 OUTLIER -98.39 69.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.548 HG22 HD12 ' A' ' 742' ' ' LEU . 12.0 p -110.69 -178.03 3.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 111.096 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 2.0 p90 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -71.17 -53.45 14.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -27.68 69.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.548 HD12 HG22 ' A' ' 728' ' ' THR . 0.6 OUTLIER -58.89 -50.97 72.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 743' ' ' THR . . . . . 0.726 HG23 ' HB1' ' A' ' 672' ' ' ALA . 2.7 m -61.24 -36.79 80.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.6 -34.86 74.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.31 -45.29 66.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.6 m -66.63 -38.83 82.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 747' ' ' ILE . . . . . 0.469 HD11 HG22 ' A' ' 743' ' ' THR . 49.3 mt -64.16 -45.95 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -61.96 -46.22 90.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 77.5 m -65.2 -48.15 74.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.06 92.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -67.98 -35.51 78.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -67.49 -48.45 67.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 753' ' ' ILE . . . . . 0.525 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -65.81 -34.82 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.41 -39.01 85.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -68.58 -41.52 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 756' ' ' ALA . . . . . 0.708 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -61.76 -28.38 69.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.84 75.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 758' ' ' LYS . . . . . 0.406 ' HA ' HG12 ' A' ' 761' ' ' VAL . 4.9 mtpt -58.86 -38.19 78.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -73.01 -28.3 62.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 760' ' ' LEU . . . . . 0.697 HD23 ' OG ' ' A' ' 710' ' ' SER . 0.5 OUTLIER -78.64 -39.57 36.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.668 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.1 p -71.31 -37.01 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.3 t -69.79 -32.83 71.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.38 -38.72 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.697 HG21 HG11 ' A' ' 654' ' ' VAL . 16.1 p -67.38 -43.66 80.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.9 m -66.24 -49.13 68.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -22.55 62.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.649 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.769 0.237 . . . . 0.0 112.355 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.8 OUTLIER -97.78 137.11 20.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.871 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -49.19 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -105.21 -145.09 13.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.904 HD13 HG21 ' A' ' 654' ' ' VAL . 1.1 mt -118.74 154.62 52.81 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.633 0.73 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -51.78 0.36 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.672 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.3 m -124.18 120.41 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 5.0 m -66.23 -52.73 44.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.77 -48.4 79.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.1 m-20 -50.76 -36.13 35.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.904 HG21 HD13 ' A' ' 648' ' ' LEU . 98.8 t -69.52 -46.88 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.61 -52.81 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.6 pp -64.17 -30.34 71.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.737 ' O ' HG23 ' A' ' 661' ' ' VAL . 5.7 mmtp -70.86 -36.59 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -44.39 16.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -57.86 -36.37 72.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.73 -31.14 66.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 657' ' ' LYS . 69.5 t -63.25 -46.63 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.667 ' HA ' HD12 ' A' ' 665' ' ' ILE . 68.7 p -58.98 -37.27 76.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.3 -42.94 78.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -60.72 -35.11 75.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.2 mt -69.37 -37.89 76.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -59.18 -34.43 72.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.19 -37.91 84.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.03 -38.68 72.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.471 HD21 ' CE1' ' A' ' 751' ' ' TYR . 10.2 mp -68.52 -49.3 60.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -60.35 -37.31 80.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -71.08 -30.35 66.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.509 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.01 -49.07 49.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -63.32 -37.74 88.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -80.91 -2.98 49.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 61.38 74.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -132.12 72.37 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.0 -32.1 63.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -22.24 61.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 23.7 m -89.85 -7.13 55.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 680' ' ' PHE . . . . . 0.73 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.2 m-85 -72.23 -38.26 68.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.568 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -53.44 -56.36 25.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.9 Cg_endo -69.75 -44.37 2.12 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.72 ' HB3' HD22 ' A' ' 668' ' ' LEU . 16.9 m -58.48 -37.36 75.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 3.3 t -75.35 -32.44 60.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -73.17 -46.9 48.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -57.5 -34.84 69.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 691' ' ' VAL . 59.4 mt -67.51 -37.5 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -64.95 -37.43 87.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.3 mt -57.57 -47.68 81.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.617 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.63 -36.5 82.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.052 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.673 HG13 ' HG ' ' A' ' 714' ' ' LEU . 88.9 t -69.32 -51.38 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.15 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 87.9 m -66.46 -43.0 86.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.03 -38.99 80.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 694' ' ' MET . . . . . 0.525 ' HE1' HG13 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -65.22 -49.8 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.06 79.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 2.4 t -55.35 -35.87 65.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.449 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -66.44 -21.03 66.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.583 ' CE2' HD22 ' A' ' 648' ' ' LEU . 46.9 m-85 -87.84 158.36 50.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 166.22 28.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -30.12 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -148.02 119.34 4.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.67 0.748 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 166.37 27.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -122.24 26.47 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.405 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.7 OUTLIER -125.9 139.89 53.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.637 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 6.9 mt-10 -61.35 -52.76 68.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.703 0.763 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.76 -28.32 25.41 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 32.0 t -68.33 -37.77 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -44.89 87.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.06 -41.62 58.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.828 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 710' ' ' SER . . . . . 0.442 ' HA ' HD21 ' A' ' 713' ' ' LEU . 15.2 t -59.78 -38.69 82.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 5.9 tp -76.21 -28.57 57.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -72.75 -39.91 66.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.0 pp -75.97 -32.59 59.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.673 ' HG ' HG13 ' A' ' 691' ' ' VAL . 7.4 tp -63.2 -51.05 67.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -64.94 -40.99 95.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.94 76.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 1.7 p -69.33 -44.01 72.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 718' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -64.86 -38.4 90.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -36.65 76.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -71.96 -45.95 59.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -47.17 87.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.2 -41.26 99.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 26.0 m -66.21 -38.96 89.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.04 -49.35 58.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 725' ' ' CYS . . . . . 0.498 ' O ' HG23 ' A' ' 728' ' ' THR . 87.5 m -69.13 -28.06 66.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -36.95 63.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -102.16 48.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 725' ' ' CYS . 1.1 p -76.96 178.63 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.734 . . . . 0.0 111.157 179.882 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 23.5 p90 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.764 0.316 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -68.83 -51.71 37.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.88 -27.66 68.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -50.86 72.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 743' ' ' THR . . . . . 0.509 HG23 ' HB1' ' A' ' 672' ' ' ALA . 2.0 m -57.94 -37.76 74.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -69.59 -34.78 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -70.52 -45.1 66.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 746' ' ' VAL . . . . . 0.73 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.3 m -66.81 -38.65 81.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 747' ' ' ILE . . . . . 0.477 HD11 HG22 ' A' ' 743' ' ' THR . 52.9 mt -65.83 -48.67 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -62.17 -46.09 90.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 7.6 t -66.37 -46.64 76.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 750' ' ' ALA . . . . . 0.481 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -63.16 -41.93 99.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 751' ' ' TYR . . . . . 0.471 ' CE1' HD21 ' A' ' 669' ' ' LEU . 4.5 m-85 -67.22 -35.86 80.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -69.32 -48.32 61.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 753' ' ' ILE . . . . . 0.534 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.26 -34.71 71.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 754' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.45 -44.19 79.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -66.35 -36.05 81.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.01 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.35 -30.8 71.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 758' ' ' LYS . . . . . 0.411 ' HA ' HG12 ' A' ' 761' ' ' VAL . 17.1 mtpt -67.0 -39.71 87.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.07 -31.38 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 28.7 tp -78.86 -37.64 39.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 758' ' ' LYS . 7.2 p -73.19 -32.23 37.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.2 t -77.18 -35.27 56.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.42 -41.91 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.607 HG22 HD11 ' A' ' 648' ' ' LEU . 69.9 p -68.47 -41.91 79.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 97.5 m -66.13 -49.1 68.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -23.72 61.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.668 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.75 0.229 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 4.1 t70 -93.66 134.8 25.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.651 0.738 . . . . 0.0 110.828 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 646' ' ' PRO . . . . . 0.687 ' O ' HD13 ' A' ' 704' ' ' LEU . 53.9 Cg_endo -69.77 -49.37 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -108.79 -154.09 16.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.482 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.601 HD12 ' CE2' ' A' ' 698' ' ' PHE . 0.3 OUTLIER -100.1 152.52 37.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.623 0.725 . . . . 0.0 110.881 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -51.58 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 654' ' ' VAL . 0.6 OUTLIER -124.16 120.41 32.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.69 -53.47 40.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.49 -48.06 82.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.525 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.0 OUTLIER -51.7 -37.19 49.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.736 HG11 HG21 ' A' ' 764' ' ' THR . 84.2 t -68.83 -47.18 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.21 -52.46 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -65.16 -30.45 71.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.741 ' O ' HG23 ' A' ' 661' ' ' VAL . 5.1 mmtp -71.04 -36.9 72.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.657 HG21 ' HB ' ' A' ' 761' ' ' VAL . 1.0 OUTLIER -82.12 -44.37 16.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -57.97 -36.45 72.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -71.81 -30.83 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.799 HG22 ' HB1' ' A' ' 690' ' ' ALA . 69.2 t -64.27 -46.05 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.711 ' HA ' HD12 ' A' ' 665' ' ' ILE . 81.9 p -59.69 -35.87 75.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.2 -45.31 73.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -60.64 -31.99 71.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.2 mt -72.21 -39.63 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -34.66 68.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -61.63 -36.68 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.07 -38.76 72.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.81 -49.25 63.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -60.69 -37.41 81.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.71 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.49 -46.28 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -67.2 -25.48 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -92.32 12.06 23.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 52.38 61.33 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -127.25 70.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -58.73 -31.41 68.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -69.87 -28.61 65.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.08 -6.16 49.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 680' ' ' PHE . . . . . 0.43 ' CD2' HG11 ' A' ' 746' ' ' VAL . 14.4 m-30 -71.62 -35.22 70.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.551 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.89 -56.77 26.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.727 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.79 -44.22 2.18 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.262 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.715 ' HB3' HD22 ' A' ' 668' ' ' LEU . 27.6 m -60.46 -34.49 74.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 9.6 t -75.35 -32.36 60.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -70.24 -47.71 60.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.11 -36.73 73.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.497 HD12 HD23 ' A' ' 668' ' ' LEU . 56.4 mt -67.18 -37.57 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -63.84 -36.79 85.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -57.31 -50.26 73.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.799 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -59.69 -36.58 76.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.764 HG13 ' HG ' ' A' ' 714' ' ' LEU . 91.5 t -65.33 -51.78 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 43.1 m -67.31 -42.13 84.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.47 -44.39 97.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.16 -50.01 67.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.53 83.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 31.3 t -56.19 -36.6 68.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -63.53 -22.84 67.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.601 ' CE2' HD12 ' A' ' 648' ' ' LEU . 47.1 m-85 -85.89 149.24 50.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 153.5 68.73 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.739 2.292 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -17.42 55.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.19 88.73 25.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.699 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 162.55 41.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.668 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -119.51 14.71 12.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.077 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 646' ' ' PRO . 1.2 tp -112.98 139.06 48.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.651 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 4.7 mt-10 -61.62 -51.62 75.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.686 0.755 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.1 Cg_endo -69.71 -29.52 23.97 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.634 2.223 . . . . 0.0 112.359 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 707' ' ' VAL . . . . . 0.573 HG23 HD23 ' A' ' 704' ' ' LEU . 21.8 t -66.44 -38.77 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -66.02 -46.11 79.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 38.7 m -73.65 -35.73 65.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 48.5 t -58.94 -35.12 72.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -29.79 68.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -72.64 -48.29 40.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.3 pp -71.73 -40.45 69.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.764 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.2 tp -62.27 -51.14 68.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -63.97 -41.39 97.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.09 -33.8 76.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 5.8 m -61.84 -48.2 81.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 718' ' ' ALA . . . . . 0.639 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -65.81 -31.13 71.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -77.11 -34.52 56.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -71.4 -43.15 67.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -41.59 92.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.85 -36.78 70.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -37.59 85.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -68.18 -49.39 61.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 725' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 728' ' ' THR . 8.7 p -66.46 -26.86 67.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -66.15 -37.69 86.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 727' ' ' LYS . . . . . 0.611 ' O ' HD11 ' A' ' 742' ' ' LEU . 3.9 mtmt -108.81 75.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 725' ' ' CYS . 52.2 p -102.95 -176.79 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 729' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 729' ' ' VAL . 13.7 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 0.0 111.179 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 739' ' ' PHE . . . . . 0.435 ' HB3' HG11 ' A' ' 729' ' ' VAL . 22.1 p90 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.811 0.338 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -63.61 -43.67 96.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.684 HD12 HE21 ' A' ' 745' ' ' GLN . 0.3 OUTLIER -68.69 -28.94 67.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.611 HD11 ' O ' ' A' ' 727' ' ' LYS . 2.2 mm? -67.92 -50.3 56.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -37.21 73.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -69.55 -35.23 75.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 745' ' ' GLN . . . . . 0.684 HE21 HD12 ' A' ' 741' ' ' LEU . 35.3 mt-30 -70.02 -45.3 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 746' ' ' VAL . . . . . 0.43 HG11 ' CD2' ' A' ' 680' ' ' PHE . 21.2 m -66.57 -38.81 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.63 -50.02 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.85 -46.45 89.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 95.7 m -64.83 -43.6 92.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.88 93.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.67 -35.66 79.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.11 -48.41 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -34.47 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 754' ' ' ALA . . . . . 0.527 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.5 -43.98 79.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -70.63 -36.84 73.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -61.06 -27.16 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.88 -37.54 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -58.81 -38.06 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -28.47 62.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 760' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 764' ' ' THR . 0.4 OUTLIER -78.57 -39.46 37.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.657 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.3 p -71.4 -36.91 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.4 t -70.04 -32.94 71.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.42 -39.3 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.736 HG21 HG11 ' A' ' 654' ' ' VAL . 19.2 p -69.08 -42.45 76.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 97.1 m -66.16 -49.09 68.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -24.99 62.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.689 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.788 0.245 . . . . 0.0 112.37 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.552 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 6.1 t70 -92.38 132.51 31.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 646' ' ' PRO . . . . . 0.596 ' O ' HD13 ' A' ' 704' ' ' LEU . 53.7 Cg_endo -69.75 -49.32 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -115.28 -151.96 10.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.819 HD13 HG21 ' A' ' 654' ' ' VAL . 0.3 OUTLIER -106.16 152.8 40.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.739 . . . . 0.0 110.898 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -51.51 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.702 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.0 m -124.04 120.75 33.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.11 -53.16 49.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -58.63 -48.1 82.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.488 ' HA ' HD21 ' A' ' 656' ' ' LEU . 22.4 m-20 -51.47 -35.95 42.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.819 HG21 HD13 ' A' ' 648' ' ' LEU . 95.9 t -70.23 -47.09 69.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.01 -53.38 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.488 HD21 ' HA ' ' A' ' 653' ' ' ASP . 4.5 pp -63.97 -29.09 70.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.736 ' O ' HG23 ' A' ' 661' ' ' VAL . 3.2 mmtt -70.77 -36.98 73.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.584 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.48 -44.56 15.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -57.64 -36.2 71.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 3.0 pt20 -71.61 -30.6 65.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 657' ' ' LYS . 76.6 t -63.17 -46.7 95.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.691 ' HA ' HD12 ' A' ' 665' ' ' ILE . 79.3 p -59.55 -37.21 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.29 -43.98 76.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -60.82 -31.99 71.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 662' ' ' THR . 17.3 mt -72.06 -37.99 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -34.53 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.22 -35.85 78.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.21 -38.11 72.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 669' ' ' LEU . 4.3 mm? -68.3 -49.23 61.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -60.6 -37.42 81.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.45 73.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.75 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.22 -49.14 46.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.97 -25.72 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -91.01 9.04 32.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 56.58 61.37 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -129.51 63.61 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -54.78 -31.59 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -69.41 -27.92 65.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -6.12 49.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 680' ' ' PHE . . . . . 0.762 ' CD2' HG11 ' A' ' 746' ' ' VAL . 14.3 m-30 -71.07 -34.79 71.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.551 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -56.4 -57.12 25.07 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.623 0.725 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.1 Cg_endo -69.78 -44.31 2.14 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.624 2.216 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.716 ' HB3' HD22 ' A' ' 668' ' ' LEU . 28.3 m -59.98 -33.3 71.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 684' ' ' SER . . . . . 0.405 ' HA ' HD12 ' A' ' 687' ' ' ILE . 58.5 m -75.71 -35.06 60.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -65.55 -48.31 72.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -35.77 71.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.455 ' O ' HG23 ' A' ' 691' ' ' VAL . 53.3 mt -68.62 -37.05 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 688' ' ' HIS . . . . . 0.447 ' CD2' ' HB1' ' A' ' 718' ' ' ALA . 20.2 m170 -64.36 -36.2 83.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.0 -49.97 74.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.709 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.46 -36.07 81.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.712 HG13 ' HG ' ' A' ' 714' ' ' LEU . 99.2 t -68.92 -51.61 42.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 58.8 m -66.99 -42.03 85.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.71 -37.84 83.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 2.6 ttp -65.2 -50.2 66.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -67.48 -36.98 82.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 44.0 t -55.94 -37.42 68.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.492 HD11 ' CE1' ' A' ' 698' ' ' PHE . 0.5 OUTLIER -62.61 -20.78 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.571 ' CZ ' HD22 ' A' ' 648' ' ' LEU . 65.5 m-85 -102.77 154.49 37.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.655 0.74 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.23 61.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -14.14 51.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -126.75 88.92 53.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 160.25 50.4 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.689 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -113.41 1.28 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 646' ' ' PRO . 1.1 tp -99.67 137.99 37.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.662 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.5 mt-10 -61.82 -51.07 78.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.674 0.749 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.81 -29.59 23.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 707' ' ' VAL . . . . . 0.575 HG23 HD23 ' A' ' 704' ' ' LEU . 19.9 t -66.26 -36.24 76.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -65.82 -46.17 79.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 63.3 m -74.49 -40.37 61.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 79.7 p -59.31 -33.37 71.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -29.17 68.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 6.3 mtp85 -72.64 -48.38 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.0 pp -72.67 -42.22 64.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.712 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.1 tp -55.88 -51.44 67.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -65.38 -38.11 89.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.74 -33.3 75.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.31 -40.03 92.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.818 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 718' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 688' ' ' HIS . . . -73.02 -42.07 63.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.97 -46.13 82.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -59.9 -46.16 90.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -37.46 79.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -44.1 76.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 33.9 t -66.25 -37.96 86.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -67.51 -49.29 64.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 725' ' ' CYS . . . . . 0.536 ' O ' HG23 ' A' ' 728' ' ' THR . 10.9 p -69.13 -26.82 65.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -48.75 73.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 727' ' ' LYS . . . . . 0.607 ' O ' HD21 ' A' ' 742' ' ' LEU . 0.0 OUTLIER -97.3 76.05 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 725' ' ' CYS . 53.1 p -107.14 -175.59 2.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 111.138 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 51.0 p90 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.8 0.333 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -54.83 -41.53 70.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.21 -34.31 63.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.607 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.3 OUTLIER -58.95 -51.17 71.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 743' ' ' THR . . . . . 0.75 HG23 ' HB1' ' A' ' 672' ' ' ALA . 0.7 OUTLIER -62.64 -36.48 82.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -34.99 75.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -70.21 -45.49 66.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 746' ' ' VAL . . . . . 0.762 HG11 ' CD2' ' A' ' 680' ' ' PHE . 21.9 m -66.49 -38.84 82.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.0 mt -65.0 -49.75 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -58.6 -46.42 87.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 83.9 m -63.7 -47.98 78.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 750' ' ' ALA . . . . . 0.617 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -61.79 -41.87 98.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -67.32 -35.67 79.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -68.83 -48.23 64.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 753' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -65.74 -34.61 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 754' ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.41 -44.18 79.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -41.73 94.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 756' ' ' ALA . . . . . 0.457 ' HB1' ' CD1' ' A' ' 713' ' ' LEU . . . -60.98 -27.07 68.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -69.06 -38.2 78.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 758' ' ' LYS . . . . . 0.402 ' HA ' HG12 ' A' ' 761' ' ' VAL . 2.9 mtpp -58.96 -37.99 78.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -72.9 -28.37 62.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 760' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 764' ' ' THR . 0.2 OUTLIER -78.53 -39.62 37.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.584 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.1 p -71.28 -37.01 64.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.2 t -69.82 -32.65 71.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.1 mm -66.39 -38.84 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.777 HG21 HG11 ' A' ' 654' ' ' VAL . 18.4 p -67.89 -43.37 79.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.2 m -66.21 -49.04 68.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -23.39 62.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.717 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.773 0.239 . . . . 0.0 112.372 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.563 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 6.2 t0 -88.61 127.83 54.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.2 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -131.35 51.88 0.84 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.545 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.718 HD11 HG22 ' A' ' 764' ' ' THR . 0.5 OUTLIER 64.33 152.53 0.12 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.728 . . . . 0.0 110.894 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 -51.79 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.712 ' O ' HG23 ' A' ' 654' ' ' VAL . 5.3 m -124.07 120.96 33.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.29 -53.13 48.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -58.29 -48.2 81.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.528 ' HA ' HD21 ' A' ' 656' ' ' LEU . 3.8 t0 -51.58 -36.42 45.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 1.041 HG11 HG21 ' A' ' 764' ' ' THR . 95.7 t -69.32 -46.78 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.47 -52.75 48.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.7 pp -64.17 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.748 ' O ' HG23 ' A' ' 661' ' ' VAL . 3.0 mmtp -71.0 -36.04 72.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.506 HG21 ' HB ' ' A' ' 761' ' ' VAL . 1.0 OUTLIER -81.75 -44.27 17.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -57.74 -36.72 72.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -71.76 -30.82 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 657' ' ' LYS . 66.3 t -63.89 -46.24 94.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.706 ' HA ' HD12 ' A' ' 665' ' ' ILE . 82.0 p -59.42 -36.5 76.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.42 -44.11 75.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -60.87 -31.69 71.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.706 HD12 ' HA ' ' A' ' 662' ' ' THR . 18.1 mt -71.87 -37.75 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -33.2 67.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.0 -37.6 80.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.64 -38.55 73.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 669' ' ' LEU . 4.1 mm? -67.43 -48.98 65.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -61.61 -37.43 83.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.05 -33.47 75.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.98 -49.08 49.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -62.55 -32.85 73.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -88.06 -2.91 58.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 62.02 76.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -134.42 69.31 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -56.04 -30.72 62.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.49 -22.71 61.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 679' ' ' SER . . . . . 0.414 ' C ' ' HD2' ' A' ' 682' ' ' PRO . 3.4 t -92.3 -4.77 53.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 680' ' ' PHE . . . . . 0.741 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -71.57 -30.93 66.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.576 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.4 t -62.57 -55.54 38.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.77 -41.4 4.3 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.738 ' HB3' HD22 ' A' ' 668' ' ' LEU . 12.9 m -58.5 -41.32 85.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 684' ' ' SER . . . . . 0.477 ' HA ' HD12 ' A' ' 687' ' ' ILE . 1.5 t -74.86 -32.38 61.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -69.91 -47.66 61.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -58.21 -33.42 69.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 684' ' ' SER . 53.8 mt -68.46 -37.66 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -65.43 -36.95 85.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.802 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.84 -46.1 81.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.544 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.35 -36.59 84.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.623 HG13 ' HG ' ' A' ' 714' ' ' LEU . 90.6 t -68.62 -51.34 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 37.3 m -67.05 -43.89 81.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.14 -39.89 83.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -50.85 64.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -57.59 -36.59 71.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.02 -31.08 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -27.57 65.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.654 ' CE2' HD23 ' A' ' 648' ' ' LEU . 46.2 m-85 -74.06 154.78 88.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.688 0.756 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 178.13 4.83 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.74 2.294 . . . . 0.0 112.341 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -13.26 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -161.23 117.05 1.34 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 157.5 60.29 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.717 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -110.82 0.09 17.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.72 138.6 36.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.653 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.3 mt-10 -62.43 -51.68 71.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.661 0.743 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.1 Cg_endo -69.77 -28.51 25.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.7 -34.55 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -65.47 -46.91 77.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 21.3 m -75.93 -38.62 57.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 710' ' ' SER . . . . . 0.72 ' OG ' HD23 ' A' ' 760' ' ' LEU . 33.1 t -59.11 -30.09 67.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.02 -30.26 63.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -72.34 -48.29 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.3 pp -70.79 -40.21 72.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.623 ' HG ' HG13 ' A' ' 691' ' ' VAL . 4.6 tp -56.06 -51.06 69.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -41.25 94.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.28 -33.78 76.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -48.07 82.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 718' ' ' ALA . . . . . 0.586 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -67.64 -29.95 69.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -72.11 -46.01 58.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -45.54 94.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -39.29 85.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -47.1 80.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -39.0 89.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -69.15 -49.12 59.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 725' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 728' ' ' THR . 7.4 m -69.07 -27.93 66.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -59.09 -36.79 75.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -99.73 70.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 725' ' ' CYS . 3.8 p -101.08 -179.48 4.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.645 0.736 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 52.4 p90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.07 -49.64 42.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 2.9 tp -61.85 -27.63 68.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.65 -39.8 81.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 743' ' ' THR . . . . . 0.409 HG23 ' HB1' ' A' ' 672' ' ' ALA . 0.7 OUTLIER -72.91 -35.93 67.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -70.01 -34.53 73.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -70.88 -45.28 64.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 746' ' ' VAL . . . . . 0.741 HG11 ' CE2' ' A' ' 680' ' ' PHE . 23.6 m -65.9 -39.04 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 56.0 mt -66.15 -50.5 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -62.88 -44.23 96.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 59.5 m -66.38 -48.44 70.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 750' ' ' ALA . . . . . 0.405 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -58.87 -47.0 86.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -68.15 -35.07 77.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.77 -49.55 72.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -34.89 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 754' ' ' ALA . . . . . 0.59 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.52 -44.15 79.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -65.72 -39.94 91.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.92 67.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.23 -33.03 71.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -58.7 -38.52 78.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.92 -28.42 62.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 760' ' ' LEU . . . . . 0.72 HD23 ' OG ' ' A' ' 710' ' ' SER . 0.5 OUTLIER -78.65 -39.77 36.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.506 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.4 p -71.07 -36.68 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.7 t -70.48 -33.54 71.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.6 mm -66.79 -38.75 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 764' ' ' THR . . . . . 1.041 HG21 HG11 ' A' ' 654' ' ' VAL . 20.7 p -68.96 -41.11 78.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 91.4 m -65.85 -49.14 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -63.35 -34.18 77.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.946 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.644 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.779 0.241 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.9 OUTLIER -98.3 137.59 20.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.578 0.704 . . . . 0.0 110.867 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -110.59 -144.49 10.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.675 HD22 HG21 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -112.3 152.51 44.54 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.71 . . . . 0.0 110.935 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.58 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.709 2.272 . . . . 0.0 112.351 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.653 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.6 m -123.66 120.5 32.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.61 -53.24 44.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.88 -47.92 81.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.537 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.5 t70 -51.5 -37.2 48.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.728 HG11 HG21 ' A' ' 764' ' ' THR . 92.4 t -69.12 -47.11 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.79 -52.53 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.537 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.6 pp -64.79 -30.37 71.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.734 ' O ' HG23 ' A' ' 661' ' ' VAL . 6.3 mmtm -71.06 -36.73 72.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.552 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.6 OUTLIER -82.16 -44.37 16.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.75 -36.45 72.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -71.79 -30.97 66.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 657' ' ' LYS . 69.2 t -63.94 -44.71 98.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.684 ' HA ' HD12 ' A' ' 665' ' ' ILE . 66.4 p -61.28 -36.99 81.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.38 -43.72 76.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -60.64 -34.28 74.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 662' ' ' THR . 16.3 mt -69.41 -40.4 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -56.62 -34.67 67.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -61.32 -36.21 79.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.704 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.24 -38.02 71.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.465 HD21 ' HB3' ' A' ' 750' ' ' ALA . 22.2 mt -69.44 -49.26 56.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.38 -37.27 80.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.49 -31.26 72.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.781 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.57 -49.34 41.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -63.78 -20.21 65.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -94.47 7.23 46.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 58.47 55.47 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -123.71 81.11 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -64.69 -38.06 89.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -69.24 -25.28 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 20.1 m -70.98 -13.5 62.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 680' ' ' PHE . . . . . 0.546 ' CD2' HG11 ' A' ' 746' ' ' VAL . 18.8 m-30 -71.55 -35.67 70.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.545 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -54.73 -57.41 19.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.612 0.72 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.0 Cg_endo -69.75 -44.45 2.08 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.704 ' HB3' HD22 ' A' ' 668' ' ' LEU . 24.5 m -60.05 -33.35 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 684' ' ' SER . . . . . 0.403 ' OG ' HD22 ' A' ' 721' ' ' LEU . 7.9 m -74.79 -32.72 62.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.91 -46.99 64.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -58.2 -34.82 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 691' ' ' VAL . 51.0 mt -69.18 -37.84 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 688' ' ' HIS . . . . . 0.412 ' ND1' ' HB1' ' A' ' 718' ' ' ALA . 7.2 m-70 -63.35 -36.1 82.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.2 mt -56.45 -49.1 75.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.675 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.18 -36.72 84.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.742 HG13 ' HG ' ' A' ' 714' ' ' LEU . 99.7 t -67.68 -51.65 48.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 68.0 m -67.3 -44.34 79.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.65 -38.33 81.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -50.0 67.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.7 75.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 37.4 t -55.8 -37.52 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.78 -20.84 65.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.631 ' CE1' HD23 ' A' ' 648' ' ' LEU . 89.2 m-85 -89.5 155.83 48.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.711 0.767 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.71 26.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -29.88 14.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -147.59 121.82 5.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 165.2 31.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.639 2.226 . . . . 0.0 112.351 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.644 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -120.32 25.05 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.432 HD13 HG23 ' A' ' 707' ' ' VAL . 0.6 OUTLIER -127.58 141.81 51.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.622 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.1 mp0 -61.86 -53.17 62.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.656 0.741 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.81 -34.48 14.33 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.223 . . . . 0.0 112.328 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 707' ' ' VAL . . . . . 0.432 HG23 HD13 ' A' ' 704' ' ' LEU . 24.7 t -59.23 -36.81 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -65.09 -46.2 82.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -42.09 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 710' ' ' SER . . . . . 0.444 ' HA ' HD21 ' A' ' 713' ' ' LEU . 1.2 t -59.64 -38.38 81.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.825 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 5.0 tp -76.02 -29.09 58.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -72.71 -40.03 66.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.675 HD13 ' HB1' ' A' ' 756' ' ' ALA . 4.1 pp -76.01 -32.84 59.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.742 ' HG ' HG13 ' A' ' 691' ' ' VAL . 10.5 tp -59.34 -51.21 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -65.23 -38.96 92.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.2 -33.75 76.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -37.56 84.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 718' ' ' ALA . . . . . 0.412 ' HB1' ' ND1' ' A' ' 688' ' ' HIS . . . -72.68 -37.82 67.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.094 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -64.96 -46.0 83.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -63.67 -46.16 86.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 721' ' ' LEU . . . . . 0.403 HD22 ' OG ' ' A' ' 684' ' ' SER . 0.3 OUTLIER -59.85 -38.42 82.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -39.98 73.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 28.6 t -66.14 -37.84 86.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -66.94 -49.43 65.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 725' ' ' CYS . . . . . 0.561 ' O ' HG23 ' A' ' 728' ' ' THR . 11.5 p -69.18 -26.79 65.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -48.81 74.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 727' ' ' LYS . . . . . 0.529 ' O ' HD21 ' A' ' 742' ' ' LEU . 0.0 OUTLIER -98.69 76.19 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 725' ' ' CYS . 52.2 p -105.38 -176.0 2.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 111.113 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 16.2 p90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.855 0.359 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -65.25 -43.08 92.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.01 -35.53 64.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.529 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.4 OUTLIER -59.03 -50.86 72.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 743' ' ' THR . . . . . 0.781 HG23 ' HB1' ' A' ' 672' ' ' ALA . 4.6 m -59.68 -34.23 72.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -69.36 -35.32 75.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -69.57 -45.15 69.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 746' ' ' VAL . . . . . 0.546 HG11 ' CD2' ' A' ' 680' ' ' PHE . 22.0 m -67.47 -38.74 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 747' ' ' ILE . . . . . 0.587 HD11 HG22 ' A' ' 743' ' ' THR . 58.5 mt -67.19 -50.07 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -60.23 -46.18 90.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 2.9 t -62.18 -48.18 81.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 750' ' ' ALA . . . . . 0.637 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -61.6 -41.79 97.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -67.63 -35.68 79.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -68.74 -48.08 64.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -34.48 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 754' ' ' ALA . . . . . 0.492 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.24 -43.86 80.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -73.47 -34.26 65.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 756' ' ' ALA . . . . . 0.675 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -63.01 -26.97 69.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -73.82 -26.13 60.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 758' ' ' LYS . . . . . 0.405 ' HA ' HG12 ' A' ' 761' ' ' VAL . 0.3 OUTLIER -58.86 -37.95 77.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.88 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -72.93 -28.25 62.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 760' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 760' ' ' LEU . 2.1 tt -78.69 -39.53 36.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.552 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.1 p -71.41 -36.84 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.2 t -69.86 -32.35 70.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.1 mm -66.17 -38.98 83.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.728 HG21 HG11 ' A' ' 654' ' ' VAL . 28.9 p -68.58 -42.77 77.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.9 m -66.23 -48.89 69.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -24.32 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.938 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.706 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.776 0.24 . . . . 0.0 112.31 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 3.8 t70 -96.59 136.34 21.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 110.895 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -49.2 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.372 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 647' ' ' GLY . . . . . 0.445 ' C ' HD13 ' A' ' 648' ' ' LEU . . . -111.76 -146.15 10.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.592 HD12 ' CE2' ' A' ' 698' ' ' PHE . 0.3 OUTLIER -104.94 152.38 39.59 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.293 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.704 ' O ' HG23 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -124.04 120.56 32.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.82 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.8 m -65.71 -53.26 43.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -58.7 -48.25 81.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.52 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.0 OUTLIER -51.52 -36.45 44.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.775 HG11 HG21 ' A' ' 764' ' ' THR . 81.4 t -69.03 -47.0 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.61 -52.88 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.46 -30.75 71.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.745 ' O ' HG23 ' A' ' 661' ' ' VAL . 1.9 mmtp -70.39 -37.01 74.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.528 HG21 ' HB ' ' A' ' 761' ' ' VAL . 1.0 OUTLIER -81.83 -44.07 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.118 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.78 -36.93 72.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -71.73 -30.69 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.783 HG22 ' HB1' ' A' ' 690' ' ' ALA . 66.2 t -63.88 -46.93 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.711 ' HA ' HD12 ' A' ' 665' ' ' ILE . 81.4 p -58.87 -36.06 74.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.23 -44.53 75.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -60.59 -36.74 79.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 662' ' ' THR . 12.0 mt -66.46 -40.2 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -55.96 -34.19 65.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.49 -39.26 90.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.723 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.75 -39.13 73.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.538 HD21 ' CB ' ' A' ' 750' ' ' ALA . 23.8 mt -69.9 -49.15 54.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -61.19 -37.09 81.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.06 65.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.574 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.99 -49.08 49.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -67.91 -27.75 66.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -89.23 8.98 27.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 51.61 69.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -128.34 76.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -61.09 -35.63 77.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -71.27 -22.29 61.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 68.2 m -85.5 -9.85 56.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 680' ' ' PHE . . . . . 0.729 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.4 m-30 -71.71 -30.88 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.568 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -61.83 -56.17 34.74 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.644 0.735 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.9 Cg_endo -69.74 -41.47 4.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.723 ' HB3' HD22 ' A' ' 668' ' ' LEU . 12.8 m -58.43 -35.28 71.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.78 -32.63 59.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.32 -47.64 60.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -57.91 -37.21 73.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.463 HD11 ' HB2' ' A' ' 668' ' ' LEU . 58.8 mt -67.17 -37.47 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.67 -36.68 84.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.03 -48.13 79.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.783 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.98 -36.61 84.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.747 HG13 ' HG ' ' A' ' 714' ' ' LEU . 89.1 t -67.35 -51.87 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 87.8 m -67.37 -43.85 80.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.41 -44.27 95.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -49.93 68.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.39 80.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 1.6 t -55.88 -36.77 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -64.12 -22.86 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.592 ' CE2' HD12 ' A' ' 648' ' ' LEU . 47.1 m-85 -85.56 149.17 50.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 154.52 67.75 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.658 2.238 . . . . 0.0 112.318 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -17.11 55.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.52 88.47 12.55 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.696 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 156.46 63.33 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.682 2.255 . . . . 0.0 112.394 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.706 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.6 21.63 15.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.03 136.43 53.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.661 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 8.1 mt-10 -61.99 -51.41 75.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.682 0.754 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.7 Cg_endo -69.81 -27.88 25.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.635 2.224 . . . . 0.0 112.342 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 18.4 t -67.97 -38.22 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -66.05 -44.08 85.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -40.58 59.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 710' ' ' SER . . . . . 0.409 ' HA ' HD21 ' A' ' 713' ' ' LEU . 97.6 p -59.22 -31.54 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -27.8 58.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -73.07 -40.39 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.0 pp -75.83 -32.64 59.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.747 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.2 tp -66.4 -51.33 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -62.96 -44.13 96.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.81 76.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -48.0 82.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 718' ' ' ALA . . . . . 0.431 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -66.94 -29.86 69.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -73.12 -36.84 66.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -72.04 -45.43 60.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.15 -39.19 85.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.01 -47.15 78.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 3.1 m -66.59 -37.79 85.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -69.01 -49.53 56.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 725' ' ' CYS . . . . . 0.671 ' O ' HG23 ' A' ' 728' ' ' THR . 20.0 m -69.1 -32.26 71.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -53.86 -36.86 63.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 727' ' ' LYS . . . . . 0.53 ' O ' HD21 ' A' ' 742' ' ' LEU . 1.6 mtmt -100.39 69.9 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 725' ' ' CYS . 2.7 p -94.89 -177.85 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 111.097 179.94 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 2.0 p90 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -68.42 -43.83 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.89 -27.97 61.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.53 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.1 OUTLIER -59.08 -50.97 72.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 743' ' ' THR . . . . . 0.574 HG23 ' HB1' ' A' ' 672' ' ' ALA . 0.4 OUTLIER -59.41 -37.59 78.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -69.05 -34.85 75.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -70.14 -45.03 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 746' ' ' VAL . . . . . 0.729 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.7 m -67.72 -38.92 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 45.9 mt -63.57 -47.77 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -62.11 -44.58 96.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 95.4 m -66.58 -47.59 72.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 750' ' ' ALA . . . . . 0.585 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -63.34 -42.39 98.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.55 -35.97 80.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.1 -48.2 58.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -34.73 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 754' ' ' ALA . . . . . 0.485 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -68.22 -44.68 75.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -74.41 -34.33 63.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 756' ' ' ALA . . . . . 0.473 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -60.87 -27.58 68.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.05 63.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -58.71 -38.43 78.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.97 -28.5 62.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 760' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 764' ' ' THR . 0.5 OUTLIER -78.65 -39.6 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.528 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.5 p -71.28 -36.74 62.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.7 t -70.31 -33.5 71.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.66 -39.86 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.775 HG21 HG11 ' A' ' 654' ' ' VAL . 21.3 p -69.06 -40.75 78.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 94.5 m -65.73 -46.19 79.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -68.57 -20.88 64.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.677 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.756 0.232 . . . . 0.0 112.373 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.9 OUTLIER -97.37 137.2 21.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 646' ' ' PRO . . . . . 0.541 ' O ' HD13 ' A' ' 704' ' ' LEU . 53.4 Cg_endo -69.87 -49.13 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 647' ' ' GLY . . . . . 0.516 ' C ' HD23 ' A' ' 648' ' ' LEU . . . -105.12 -133.96 7.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.897 HD13 HG21 ' A' ' 654' ' ' VAL . 0.8 OUTLIER -129.45 155.35 80.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 0.0 110.918 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -51.66 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.643 ' O ' HG23 ' A' ' 654' ' ' VAL . 1.8 m -123.93 119.99 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 5.1 m -66.42 -53.24 37.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.64 -48.3 79.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.571 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.2 m-20 -50.9 -37.04 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.897 HG21 HD13 ' A' ' 648' ' ' LEU . 90.9 t -69.77 -46.72 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.7 -52.95 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.6 pp -63.41 -30.69 71.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.745 ' O ' HG23 ' A' ' 661' ' ' VAL . 7.8 mmtp -70.32 -36.31 74.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -44.17 16.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -57.78 -36.63 72.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -71.65 -30.65 65.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 657' ' ' LYS . 73.6 t -63.34 -45.43 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.687 ' HA ' HD12 ' A' ' 665' ' ' ILE . 77.8 p -60.91 -37.59 82.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.22 -43.61 77.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -60.8 -34.34 74.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 662' ' ' THR . 16.2 mt -68.85 -37.82 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.18 -34.07 74.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -60.95 -37.59 82.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.79 -37.87 73.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 669' ' ' LEU . 4.2 mm? -66.66 -49.03 67.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -61.17 -37.57 83.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.76 -33.32 75.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.672 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.42 -49.03 53.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.051 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -65.04 -25.27 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -97.09 8.35 44.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 51.45 74.47 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -130.8 66.8 1.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -55.6 -33.11 63.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.33 -22.41 61.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 61.3 m -90.3 -6.21 55.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 680' ' ' PHE . . . . . 0.721 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -71.97 -31.0 65.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.564 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -61.27 -56.3 35.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.595 0.712 . . . . 0.0 111.095 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.77 -44.32 2.14 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.725 ' HB3' HD22 ' A' ' 668' ' ' LEU . 28.6 m -58.52 -39.76 81.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 684' ' ' SER . . . . . 0.493 ' HA ' HD12 ' A' ' 687' ' ' ILE . 12.7 t -74.76 -32.27 62.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -71.17 -47.07 59.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -57.7 -33.28 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 684' ' ' SER . 50.0 mt -68.21 -37.46 78.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -65.79 -37.17 85.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.04 -46.16 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.678 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.85 -36.45 83.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.651 HG13 ' HG ' ' A' ' 714' ' ' LEU . 84.3 t -69.51 -51.36 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 87.0 m -66.37 -42.7 87.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.89 -39.21 80.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 694' ' ' MET . . . . . 0.761 ' HE2' HG13 ' A' ' 654' ' ' VAL . 1.3 ttm -65.23 -49.77 68.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.02 -36.11 80.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 8.1 t -55.55 -35.92 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -65.93 -21.1 66.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.628 ' CZ ' HD22 ' A' ' 648' ' ' LEU . 45.7 m-85 -87.27 158.72 51.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.689 0.757 . . . . 0.0 110.86 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 168.6 21.17 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.623 2.215 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -26.14 8.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -151.71 121.37 3.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 165.96 29.19 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.266 . . . . 0.0 112.371 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.677 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -120.97 23.67 10.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.571 HD23 HG23 ' A' ' 707' ' ' VAL . 1.2 tp -122.27 139.02 54.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.652 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 2.4 mm-40 -61.32 -51.75 75.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.74 -29.67 23.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.31 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 707' ' ' VAL . . . . . 0.571 HG23 HD23 ' A' ' 704' ' ' LEU . 25.3 t -67.19 -38.01 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -45.98 82.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.1 m -73.52 -41.53 62.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 710' ' ' SER . . . . . 0.438 ' HB2' HD13 ' A' ' 760' ' ' LEU . 84.9 p -59.48 -29.04 67.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.1 tp -75.75 -27.74 58.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -72.88 -40.57 65.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.668 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.0 pp -75.93 -32.86 59.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.668 ' N ' HD12 ' A' ' 713' ' ' LEU . 6.4 tp -67.23 -51.26 55.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -63.92 -45.79 87.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.98 -33.81 76.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -48.04 82.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 718' ' ' ALA . . . . . 0.463 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -72.87 -34.42 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -66.68 -38.48 86.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -44.67 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -44.55 97.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -64.46 -44.77 90.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.972 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 12.9 m -66.23 -41.28 90.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -68.99 -49.24 59.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 725' ' ' CYS . . . . . 0.494 ' O ' HG23 ' A' ' 728' ' ' THR . 17.0 m -68.25 -27.32 66.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -53.62 -36.8 62.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -99.21 34.91 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.722 ' HA ' HD21 ' A' ' 742' ' ' LEU . 0.7 OUTLIER -57.21 -178.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 729' ' ' VAL . . . . . 0.795 HG23 HD22 ' A' ' 742' ' ' LEU . 2.2 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 51.1 p90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -54.93 -54.22 45.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.51 -27.72 69.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.795 HD22 HG23 ' A' ' 729' ' ' VAL . 2.3 tp -58.69 -51.05 71.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 743' ' ' THR . . . . . 0.672 HG23 ' HB1' ' A' ' 672' ' ' ALA . 2.2 m -60.77 -37.44 81.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -34.82 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -70.39 -44.83 67.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 746' ' ' VAL . . . . . 0.721 HG11 ' CE2' ' A' ' 680' ' ' PHE . 23.5 m -67.46 -38.93 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 747' ' ' ILE . . . . . 0.509 HD11 HG22 ' A' ' 743' ' ' THR . 53.0 mt -65.49 -49.84 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -62.22 -46.01 90.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 61.7 m -65.56 -43.66 89.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 750' ' ' ALA . . . . . 0.438 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -65.09 -41.86 94.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -67.32 -36.02 80.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -48.54 59.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 753' ' ' ILE . . . . . 0.489 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.31 -34.39 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 754' ' ' ALA . . . . . 0.469 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.4 -41.48 84.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -63.87 -38.44 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.96 -26.92 67.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -63.25 -38.58 91.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 758' ' ' LYS . . . . . 0.402 ' HA ' HG12 ' A' ' 761' ' ' VAL . 22.5 mtpt -66.69 -39.63 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 759' ' ' GLN . . . . . 0.401 ' HA ' HG22 ' A' ' 762' ' ' THR . 1.6 tt0 -74.11 -31.4 62.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 760' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 764' ' ' THR . 7.1 tp -78.83 -37.56 40.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' A' ' 758' ' ' LYS . 7.0 p -73.27 -32.32 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 762' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 759' ' ' GLN . 15.1 t -77.15 -35.46 56.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.69 -38.74 82.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 760' ' ' LEU . 61.4 p -67.62 -43.46 80.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 95.7 m -66.26 -49.1 68.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -22.77 61.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.614 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.802 0.251 . . . . 0.0 112.329 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.8 t70 -101.25 137.94 19.81 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.61 0.719 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 646' ' ' PRO . . . . . 0.519 ' O ' HD12 ' A' ' 704' ' ' LEU . 53.3 Cg_endo -69.74 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.744 2.296 . . . . 0.0 112.332 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -111.06 -150.14 11.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.678 HD22 HG21 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -111.52 152.08 43.74 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.599 0.714 . . . . 0.0 110.965 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -50.52 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.319 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 654' ' ' VAL . 1.0 OUTLIER -123.59 121.54 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.7 m -65.26 -52.55 53.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -57.94 -47.01 84.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.475 ' HA ' HD21 ' A' ' 656' ' ' LEU . 30.8 m-20 -51.87 -36.35 48.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.678 HG21 HD22 ' A' ' 648' ' ' LEU . 90.1 t -70.06 -47.0 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.41 -53.46 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 657' ' ' LYS . 4.6 pp -63.61 -29.18 70.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.978 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.733 ' O ' HG23 ' A' ' 661' ' ' VAL . 2.8 mmtp -70.6 -36.88 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.46 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.63 -44.51 15.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -58.05 -36.27 72.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 15.5 pt20 -71.59 -31.15 66.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 657' ' ' LYS . 70.3 t -63.06 -45.82 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.663 ' HA ' HD12 ' A' ' 665' ' ' ILE . 75.4 p -60.04 -37.01 78.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -68.41 -43.09 77.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -60.75 -35.71 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.8 mt -68.45 -39.86 81.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -55.85 -34.61 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.48 -38.34 86.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.708 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.45 -38.96 71.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.529 HD21 ' CB ' ' A' ' 750' ' ' ALA . 24.0 mt -70.0 -49.13 54.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -60.07 -36.87 78.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 671' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 676' ' ' LYS . . . -68.6 -34.16 75.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.1 65.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.97 -29.93 70.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -92.65 8.15 40.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 51.6 75.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 676' ' ' LYS . . . . . 0.442 ' HB2' ' HB1' ' A' ' 671' ' ' ALA . 17.0 mmmt -131.48 67.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -55.8 -32.79 63.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -22.44 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 62.3 m -91.03 -5.61 55.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 680' ' ' PHE . . . . . 0.734 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.2 m-30 -71.96 -35.2 69.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.566 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -56.87 -56.32 34.38 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.637 0.732 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.3 Cg_endo -69.74 -43.3 2.76 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.708 ' HB3' HD22 ' A' ' 668' ' ' LEU . 14.9 m -58.2 -38.18 76.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 2.2 t -75.26 -32.44 61.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.7 -47.11 49.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -57.61 -34.64 69.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.506 HD11 ' HB2' ' A' ' 668' ' ' LEU . 59.3 mt -67.67 -37.4 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -65.38 -37.22 86.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.5 mt -57.37 -47.13 82.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.608 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.3 -36.29 81.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.619 HG13 ' HG ' ' A' ' 714' ' ' LEU . 89.9 t -71.05 -51.48 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 92.9 m -65.45 -41.31 93.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.78 -36.44 74.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -50.08 67.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -54.06 -36.99 63.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.053 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 40.2 t -55.68 -37.94 68.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.95 -20.88 65.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.629 ' CE1' HD23 ' A' ' 648' ' ' LEU . 95.5 m-85 -93.72 155.9 40.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.737 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 177.07 5.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.294 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -31.32 13.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.38 130.3 6.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 159.03 54.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.614 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.39 16.4 20.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 646' ' ' PRO . 0.2 OUTLIER -116.98 140.88 48.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.626 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 15.9 mt-10 -62.47 -52.89 62.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.6 Cg_endo -69.71 -34.94 13.73 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.318 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.02 -34.84 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -65.22 -46.09 82.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 9.5 m -73.04 -40.72 64.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 710' ' ' SER . . . . . 0.44 ' HA ' HD21 ' A' ' 713' ' ' LEU . 2.6 t -59.4 -39.1 82.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.44 -28.42 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -39.73 66.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.0 pp -75.85 -32.72 59.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.654 ' N ' HD12 ' A' ' 713' ' ' LEU . 7.9 tp -63.58 -50.99 67.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -43.21 93.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.93 -34.01 76.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 47.3 m -63.42 -47.88 80.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -69.64 -29.96 67.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -45.27 81.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -68.55 -41.21 80.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -40.68 89.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -65.11 -45.46 85.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.62 -39.53 88.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -69.24 -49.48 55.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 725' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 728' ' ' THR . 13.9 m -69.21 -27.51 65.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -53.72 -36.77 62.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -103.65 70.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 725' ' ' CYS . 4.9 p -88.81 -177.68 5.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.589 0.709 . . . . 0.0 111.18 179.876 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 52.8 p90 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -54.87 -41.78 71.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.2 -29.6 61.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -49.07 79.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -38.12 75.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -69.12 -35.02 75.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -70.2 -44.97 67.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 746' ' ' VAL . . . . . 0.734 HG11 ' CE2' ' A' ' 680' ' ' PHE . 24.4 m -67.73 -38.79 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.47 -49.37 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -62.18 -46.0 90.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 78.0 m -65.58 -47.54 75.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 750' ' ' ALA . . . . . 0.529 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -62.96 -42.23 99.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -67.54 -35.73 79.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.32 -48.3 61.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.852 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 753' ' ' ILE . . . . . 0.462 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -65.93 -34.72 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 754' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.44 -44.16 79.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -66.85 -39.24 87.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.84 -27.49 68.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.31 95.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -58.77 -38.14 77.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -73.07 -28.43 62.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.63 -39.16 37.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.46 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.2 p -71.8 -36.69 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.0 t -70.18 -32.6 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.34 -42.46 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.675 HG22 HD11 ' A' ' 648' ' ' LEU . 66.6 p -66.32 -42.68 87.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 92.2 m -66.07 -49.04 69.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -67.13 -32.88 74.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.698 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.1 Cg_endo . . . . . 0 C--O 1.23 0.125 0 CA-C-O 120.777 0.24 . . . . 0.0 112.345 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.475 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.0 OUTLIER -97.92 137.08 20.89 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.619 0.723 . . . . 0.0 110.876 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -49.05 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.281 . . . . 0.0 112.33 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -107.04 -145.76 12.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.811 HD13 HG21 ' A' ' 654' ' ' VAL . 0.2 OUTLIER -114.41 157.85 41.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.96 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.731 2.287 . . . . 0.0 112.307 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.698 ' O ' HG23 ' A' ' 654' ' ' VAL . 11.1 m -124.25 119.97 30.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.3 m -66.43 -53.58 34.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -48.89 78.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.481 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.1 t70 -50.69 -36.22 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.829 HG11 HG21 ' A' ' 764' ' ' THR . 90.4 t -70.38 -46.86 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.63 -53.15 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 653' ' ' ASP . 4.4 pp -64.6 -29.49 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.736 ' O ' HG23 ' A' ' 661' ' ' VAL . 2.2 mmtp -71.17 -36.97 72.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.608 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.3 OUTLIER -82.21 -44.32 16.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.74 -36.47 72.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.438 HE21 ' HB2' ' A' ' 690' ' ' ALA . 14.8 pt20 -71.94 -30.6 65.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 657' ' ' LYS . 66.8 t -63.65 -45.44 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.71 ' HA ' HD12 ' A' ' 665' ' ' ILE . 82.1 p -60.74 -37.02 80.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.33 -43.86 76.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -60.73 -34.93 75.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 662' ' ' THR . 16.8 mt -67.85 -38.56 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -58.75 -34.25 71.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -61.17 -35.98 78.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.24 -38.23 71.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 751' ' ' TYR . 10.4 mp -68.08 -49.32 62.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -59.29 -37.0 76.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.15 -32.71 74.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.607 ' HB1' ' CG2' ' A' ' 743' ' ' THR . . . -71.46 -49.4 41.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -61.75 -20.04 63.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.85 11.41 39.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 53.03 64.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -128.66 82.81 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -64.67 -38.24 90.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -69.36 -23.6 63.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 36.4 m -74.88 -14.84 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -71.71 -35.32 70.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.54 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.01 -57.32 20.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.9 Cg_endo -69.78 -44.44 2.06 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.349 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.71 ' HB3' HD22 ' A' ' 668' ' ' LEU . 24.7 m -60.02 -34.5 73.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 8.3 t -74.48 -32.29 62.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.39 -47.87 62.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -58.65 -34.34 71.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 691' ' ' VAL . 52.5 mt -68.86 -37.82 77.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -63.88 -36.58 84.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.86 -49.33 75.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.691 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.98 -36.66 84.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.771 HG13 ' HG ' ' A' ' 714' ' ' LEU . 95.4 t -67.13 -51.95 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 81.4 m -67.62 -42.41 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.54 -42.68 98.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 694' ' ' MET . . . . . 0.411 ' HE3' HG13 ' A' ' 654' ' ' VAL . 0.0 OUTLIER -65.1 -50.0 67.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.44 84.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 2.5 t -56.07 -36.36 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.482 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -63.44 -21.6 66.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.639 ' CE2' HD22 ' A' ' 648' ' ' LEU . 47.4 m-85 -87.75 151.31 49.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 148.71 65.54 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -19.67 44.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -130.46 87.55 49.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 152.98 69.68 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.739 2.293 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -112.23 22.1 15.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.451 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.4 OUTLIER -118.81 137.54 53.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.65 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 1.8 mt-10 -61.76 -51.96 72.27 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.632 0.729 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.65 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.7 -28.57 25.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.246 . . . . 0.0 112.356 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.66 -37.42 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -65.52 -45.52 83.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.7 m -75.11 -39.39 60.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 710' ' ' SER . . . . . 0.603 ' HB3' HD23 ' A' ' 760' ' ' LEU . 29.7 m -59.16 -28.91 67.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -27.68 58.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -73.07 -40.45 65.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.727 HD13 ' HB1' ' A' ' 756' ' ' ALA . 4.0 pp -75.87 -32.81 59.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.771 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.2 tp -67.1 -51.19 57.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -64.88 -43.22 93.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.77 76.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 1.4 m -61.94 -48.12 81.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -67.27 -29.93 69.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -73.17 -45.78 54.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -62.74 -45.18 93.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -45.29 93.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -56.81 -34.72 67.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.27 -37.67 86.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -68.72 -49.32 59.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 7.3 p -65.69 -26.66 67.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -49.17 71.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 727' ' ' LYS . . . . . 0.731 ' O ' HD21 ' A' ' 742' ' ' LEU . 0.2 OUTLIER -105.36 78.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.709 HG22 ' CD1' ' A' ' 742' ' ' LEU . 22.0 p -103.63 -177.24 3.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 33.3 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -71.24 -37.19 72.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.54 -33.37 75.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.731 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.2 OUTLIER -58.87 -41.23 86.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 743' ' ' THR . . . . . 0.607 ' CG2' ' HB1' ' A' ' 672' ' ' ALA . 0.2 OUTLIER -73.43 -35.36 65.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -69.78 -35.24 74.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -69.89 -45.28 67.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.2 m -66.66 -38.88 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.071 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 59.4 mt -67.48 -50.04 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -60.46 -46.18 90.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 4.0 t -63.8 -47.99 78.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 750' ' ' ALA . . . . . 0.596 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -59.81 -42.26 93.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 751' ' ' TYR . . . . . 0.415 ' CE1' HD21 ' A' ' 669' ' ' LEU . 1.5 m-85 -67.52 -35.67 79.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.04 -48.08 63.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 753' ' ' ILE . . . . . 0.4 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -65.66 -34.42 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 754' ' ' ALA . . . . . 0.465 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.25 -44.04 80.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -65.74 -36.68 84.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 756' ' ' ALA . . . . . 0.727 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -65.74 -26.85 67.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.27 -37.77 74.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -58.9 -38.25 78.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -28.37 62.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 760' ' ' LEU . . . . . 0.668 ' O ' HG23 ' A' ' 764' ' ' THR . 0.3 OUTLIER -78.66 -39.38 37.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.608 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.4 p -71.46 -36.64 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.3 t -70.43 -33.08 70.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.63 -38.91 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.829 HG21 HG11 ' A' ' 654' ' ' VAL . 17.9 p -66.97 -41.91 86.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 39.4 m -65.29 -49.09 70.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -66.79 -28.8 68.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.693 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.138 0 CA-C-O 120.806 0.252 . . . . 0.0 112.318 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.7 t70 -97.09 136.9 21.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.611 0.72 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 647' ' ' GLY . . . . . 0.499 ' C ' HD23 ' A' ' 648' ' ' LEU . . . -106.02 -133.8 7.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.475 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.875 HD13 HG21 ' A' ' 654' ' ' VAL . 0.9 OUTLIER -128.7 154.96 79.84 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.62 0.724 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -51.65 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.715 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.9 m -124.18 120.32 31.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.7 m -66.18 -53.16 40.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -57.88 -48.44 79.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.47 ' HA ' HD21 ' A' ' 656' ' ' LEU . 3.4 t70 -51.08 -35.2 33.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.875 HG21 HD13 ' A' ' 648' ' ' LEU . 99.1 t -70.35 -47.07 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.08 -53.52 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 657' ' ' LYS . 4.6 pp -63.78 -28.97 70.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' 661' ' ' VAL . 3.0 mmtp -70.8 -36.7 73.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.517 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.64 -44.58 15.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -57.46 -36.16 71.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -71.65 -30.31 65.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.827 HG22 ' HB1' ' A' ' 690' ' ' ALA . 70.4 t -62.83 -47.79 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.687 ' HA ' HD12 ' A' ' 665' ' ' ILE . 73.2 p -58.89 -35.71 73.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -68.14 -44.1 76.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -60.6 -38.5 84.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 662' ' ' THR . 14.3 mt -64.81 -38.24 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -56.86 -33.91 67.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -61.54 -38.29 86.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.43 -39.79 70.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.548 HD21 ' CB ' ' A' ' 750' ' ' ALA . 23.4 mt -70.05 -49.6 49.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -59.11 -36.88 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.14 -31.18 70.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.753 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -69.32 -49.2 58.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -64.22 -34.42 78.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -85.13 -3.71 58.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 61.85 75.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -134.45 69.13 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -56.32 -30.4 62.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.49 -22.47 61.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 1.7 t -91.31 -6.2 53.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 680' ' ' PHE . . . . . 0.73 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -71.16 -34.47 71.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.572 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.4 t -59.25 -55.73 43.28 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.648 0.737 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.8 Cg_endo -69.81 -40.25 5.47 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.725 ' HB3' HD22 ' A' ' 668' ' ' LEU . 6.9 m -58.54 -34.47 71.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -32.87 58.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -69.33 -47.83 63.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -57.53 -37.03 72.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 691' ' ' VAL . 58.7 mt -67.3 -37.05 78.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 688' ' ' HIS . . . . . 0.405 ' ND1' ' HB1' ' A' ' 718' ' ' ALA . 6.3 m-70 -64.53 -36.87 85.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.96 -47.66 80.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.827 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.17 -36.35 83.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.742 HG13 ' HG ' ' A' ' 714' ' ' LEU . 92.9 t -68.6 -51.44 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 57.0 m -67.08 -43.57 82.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.83 -38.38 78.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -49.79 68.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.02 82.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 9.4 t -55.4 -38.2 68.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.466 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.97 -20.77 65.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.562 ' CZ ' HD22 ' A' ' 648' ' ' LEU . 53.1 m-85 -89.81 158.12 45.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.731 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 169.6 18.58 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -25.34 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.38 120.3 3.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 165.38 31.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.693 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -120.72 25.04 9.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.431 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.6 OUTLIER -124.48 140.11 53.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.634 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 0.9 OUTLIER -61.49 -52.8 67.41 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.8 Cg_endo -69.78 -29.07 24.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 34.6 t -67.38 -37.21 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -45.93 83.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 17.4 m -74.25 -42.05 60.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 710' ' ' SER . . . . . 0.447 ' HA ' HD21 ' A' ' 713' ' ' LEU . 77.9 p -60.18 -38.2 82.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.831 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.09 -29.1 57.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.58 -39.9 67.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.1 pp -76.08 -32.71 59.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.742 ' HG ' HG13 ' A' ' 691' ' ' VAL . 10.4 tp -60.73 -51.1 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -64.53 -38.61 91.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.95 76.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -37.4 84.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 718' ' ' ALA . . . . . 0.405 ' HB1' ' ND1' ' A' ' 688' ' ' HIS . . . -71.88 -36.74 70.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.89 -46.16 82.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -63.82 -46.12 86.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 721' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 721' ' ' LEU . 0.4 OUTLIER -60.08 -38.14 82.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -47.47 80.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 38.1 m -66.9 -44.44 80.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -60.54 -49.89 75.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 725' ' ' CYS . . . . . 0.456 ' SG ' HD21 ' A' ' 668' ' ' LEU . 10.2 m -69.63 -35.22 75.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -53.67 -36.78 62.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -97.8 66.89 1.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.695 HG21 ' HB2' ' A' ' 680' ' ' PHE . 0.6 OUTLIER -99.14 177.23 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.166 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 111.163 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 53.6 p90 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.779 0.323 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -50.95 29.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -28.91 69.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -47.75 84.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 743' ' ' THR . . . . . 0.753 HG23 ' HB1' ' A' ' 672' ' ' ALA . 37.3 m -58.21 -37.61 75.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -35.07 75.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -70.1 -45.09 67.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 746' ' ' VAL . . . . . 0.73 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.5 m -67.33 -38.86 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 747' ' ' ILE . . . . . 0.609 ' CD1' HG22 ' A' ' 743' ' ' THR . 52.0 mt -64.03 -45.77 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.209 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -62.19 -46.07 90.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.97 -46.66 73.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 750' ' ' ALA . . . . . 0.548 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -62.84 -41.89 99.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -67.37 -35.88 80.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.27 -48.42 65.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 753' ' ' ILE . . . . . 0.482 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.29 -34.95 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 754' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.73 -44.21 78.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.087 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -68.23 -38.98 82.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 756' ' ' ALA . . . . . 0.489 ' HB1' ' CD1' ' A' ' 713' ' ' LEU . . . -60.81 -27.1 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.89 -38.67 73.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -58.8 -38.26 78.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.05 -28.46 62.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 760' ' ' LEU . . . . . 0.672 ' O ' HG23 ' A' ' 764' ' ' THR . 0.3 OUTLIER -78.62 -39.3 37.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.517 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.3 p -71.57 -36.54 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.6 t -70.56 -33.49 71.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.62 -38.75 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 760' ' ' LEU . 20.5 p -67.75 -43.52 79.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 97.2 m -66.16 -49.08 68.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -23.5 62.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.714 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.163 0 CA-C-O 120.797 0.249 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.5 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.1 t70 -98.39 136.98 20.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -118.14 -140.88 6.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.865 HD13 HG21 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -108.65 152.22 42.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 0.0 110.913 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -51.79 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.721 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.7 m -124.29 121.54 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.01 -53.18 50.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -58.5 -48.04 82.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.533 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.3 t70 -51.76 -36.44 47.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.865 HG21 HD13 ' A' ' 648' ' ' LEU . 93.3 t -68.97 -47.19 77.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.77 -52.73 50.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.75 -30.12 71.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.743 ' O ' HG23 ' A' ' 661' ' ' VAL . 4.5 mmtm -70.99 -36.78 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.677 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.5 OUTLIER -82.16 -44.45 16.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -57.71 -36.35 71.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -71.73 -30.62 65.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.819 HG22 ' HB1' ' A' ' 690' ' ' ALA . 77.8 t -63.58 -47.25 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.718 ' HA ' HD12 ' A' ' 665' ' ' ILE . 79.1 p -58.79 -36.04 73.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.19 -44.93 74.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -60.59 -32.78 71.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 662' ' ' THR . 12.7 mt -72.03 -37.97 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -34.33 71.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.38 -35.7 78.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.92 -38.39 72.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.62 -49.13 64.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -60.69 -37.38 81.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.62 -31.77 72.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.29 44.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.83 -23.26 67.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -94.66 10.34 35.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 51.52 64.79 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -128.59 84.8 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -64.86 -38.56 91.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -69.35 -23.05 63.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 36.8 m -75.52 -15.02 60.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 680' ' ' PHE . . . . . 0.548 ' CD2' HG11 ' A' ' 746' ' ' VAL . 18.3 m-30 -71.77 -35.19 69.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.539 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.06 -57.28 20.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.8 -44.49 2.02 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.7 ' HB3' HD22 ' A' ' 668' ' ' LEU . 23.9 m -59.92 -34.26 72.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 8.7 t -75.25 -32.3 61.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.53 -47.7 59.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -58.14 -37.5 74.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.602 ' O ' HG23 ' A' ' 691' ' ' VAL . 56.4 mt -66.34 -37.5 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 688' ' ' HIS . . . . . 0.448 ' CE1' ' HG1' ' A' ' 692' ' ' THR . 68.0 t60 -63.95 -37.05 85.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -57.7 -49.91 74.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.819 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.63 -36.61 83.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 687' ' ' ILE . 72.2 t -68.48 -51.54 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 692' ' ' THR . . . . . 0.448 ' HG1' ' CE1' ' A' ' 688' ' ' HIS . 92.7 m -67.04 -43.14 83.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.32 -37.46 77.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 2.3 ttp -65.16 -49.88 68.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -67.51 -36.4 80.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 1.1 m -55.33 -39.4 69.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.65 -20.58 64.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.555 ' CE1' HD22 ' A' ' 648' ' ' LEU . 70.3 m-85 -101.98 154.34 37.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 156.56 63.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -14.43 60.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.73 84.22 39.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.54 0.686 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 162.29 42.63 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -109.27 18.21 20.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.445 HD13 ' CG2' ' A' ' 707' ' ' VAL . 0.5 OUTLIER -111.61 135.17 52.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.667 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.1 mt-10 -62.32 -51.02 76.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.729 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.3 Cg_endo -69.72 -29.17 24.48 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.39 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 707' ' ' VAL . . . . . 0.445 ' CG2' HD13 ' A' ' 704' ' ' LEU . 17.7 t -66.31 -37.55 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -66.22 -45.98 78.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 709' ' ' SER . . . . . 0.444 ' O ' HD23 ' A' ' 713' ' ' LEU . 2.7 m -75.03 -35.24 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.814 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 710' ' ' SER . . . . . 0.592 ' HA ' HD21 ' A' ' 713' ' ' LEU . 15.7 m -59.61 -32.3 70.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -27.45 60.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -59.84 -54.62 44.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.604 HD23 ' H ' ' A' ' 713' ' ' LEU . 1.1 pt? -76.9 -32.08 57.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 691' ' ' VAL . 68.0 tp -60.38 -51.5 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -65.64 -44.42 86.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.92 -33.39 75.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -48.04 82.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.02 67.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.55 -35.2 60.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -71.36 -42.47 68.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.86 -39.16 84.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -62.3 -39.67 93.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -37.6 85.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -68.09 -49.52 60.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 9.0 p -66.39 -26.68 67.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -65.32 -36.95 85.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 727' ' ' LYS . . . . . 0.597 ' O ' HD11 ' A' ' 742' ' ' LEU . 0.0 OUTLIER -106.32 73.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 21.6 p -115.19 -177.85 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 111.138 179.84 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 17.8 p90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -68.38 -54.53 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.01 -27.84 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.597 HD11 ' O ' ' A' ' 727' ' ' LYS . 1.3 mm? -58.86 -50.07 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -36.78 73.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -70.11 -34.91 73.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -70.55 -45.91 64.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 746' ' ' VAL . . . . . 0.548 HG11 ' CD2' ' A' ' 680' ' ' PHE . 20.1 m -64.79 -38.81 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 54.1 mt -65.54 -48.31 83.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.154 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -59.55 -46.34 89.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 95.0 m -62.94 -45.18 93.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.81 94.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -67.85 -35.59 78.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -70.34 -48.35 56.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -34.29 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 754' ' ' ALA . . . . . 0.604 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.18 -42.79 83.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -64.57 -35.34 80.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 756' ' ' ALA . . . . . 0.482 ' HB2' HD12 ' A' ' 713' ' ' LEU . . . -64.09 -37.85 88.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 758' ' ' LYS . . . . . 0.407 ' HA ' HG12 ' A' ' 761' ' ' VAL . 16.2 mtpt -58.79 -38.52 78.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -72.92 -28.13 62.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 760' ' ' LEU . . . . . 0.674 ' O ' HG23 ' A' ' 764' ' ' THR . 0.2 OUTLIER -78.79 -39.61 35.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.677 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.2 p -71.03 -36.87 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.5 t -70.09 -33.15 71.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.77 -38.94 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.717 HG21 HG11 ' A' ' 654' ' ' VAL . 17.8 p -67.28 -40.85 86.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 60.4 m -65.97 -49.19 68.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -65.88 -21.05 66.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.707 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.831 0.263 . . . . 0.0 112.324 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 645' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.4 t70 -98.02 137.54 20.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 110.838 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.27 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 647' ' ' GLY . . . . . 0.575 ' C ' HD13 ' A' ' 648' ' ' LEU . . . -109.56 -144.53 10.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.575 HD13 ' C ' ' A' ' 647' ' ' GLY . 0.2 OUTLIER -112.13 151.5 43.68 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.592 0.71 . . . . 0.0 110.905 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 -51.05 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 654' ' ' VAL . 1.2 m -123.86 120.77 33.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.24 -53.33 46.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -58.2 -47.79 82.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.537 ' HA ' HD21 ' A' ' 656' ' ' LEU . 42.5 m-20 -51.87 -36.48 48.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.761 HG11 HG21 ' A' ' 764' ' ' THR . 96.6 t -69.1 -47.12 76.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.93 -52.88 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.537 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.3 -30.17 71.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.739 ' O ' HG23 ' A' ' 661' ' ' VAL . 5.7 mmtm -70.77 -36.67 73.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 658' ' ' THR . . . . . 0.614 HG22 ' HB1' ' A' ' 757' ' ' ALA . 0.3 OUTLIER -82.34 -44.41 16.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.95 -36.2 72.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 660' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 11.2 pt20 -71.5 -30.58 66.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.828 HG22 ' HB1' ' A' ' 690' ' ' ALA . 72.4 t -63.97 -46.05 95.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.718 ' HA ' HD12 ' A' ' 665' ' ' ILE . 72.9 p -60.16 -35.67 75.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -67.77 -44.93 76.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -60.57 -36.7 79.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 662' ' ' THR . 12.6 mt -66.89 -39.23 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -56.49 -34.01 66.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -61.61 -38.15 86.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.727 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.62 -40.16 69.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 750' ' ' ALA . 22.9 mt -69.86 -49.57 51.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -58.85 -36.79 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.25 -31.13 70.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.903 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -67.93 -49.07 63.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.66 -36.46 83.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -81.94 -4.25 56.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 61.83 74.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -133.85 68.6 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -56.23 -30.24 62.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -71.54 -22.49 61.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 679' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 682' ' ' PRO . 1.5 t -90.73 -6.8 53.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 680' ' ' PHE . . . . . 0.769 ' HB2' HG21 ' A' ' 728' ' ' THR . 3.2 m-30 -71.07 -34.58 71.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.57 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.4 t -59.08 -55.82 42.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.095 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.6 Cg_endo -69.75 -40.61 5.13 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.677 2.252 . . . . 0.0 112.325 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.727 ' HB3' HD22 ' A' ' 668' ' ' LEU . 7.5 m -58.32 -33.6 69.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -33.03 59.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.95 -47.52 62.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -57.47 -37.23 72.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 691' ' ' VAL . 58.6 mt -67.34 -37.26 78.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.145 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -64.13 -36.62 84.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.6 -48.56 77.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.828 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.19 -36.49 83.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.615 HG13 ' HG ' ' A' ' 714' ' ' LEU . 98.3 t -68.1 -51.66 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 60.5 m -67.23 -44.25 79.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.98 -36.42 74.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -49.69 69.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.07 80.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 40.8 t -55.52 -36.29 66.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -65.49 -20.69 66.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.571 ' CE2' HD12 ' A' ' 648' ' ' LEU . 47.5 m-85 -88.33 158.27 49.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.64 0.733 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 172.59 12.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.258 . . . . 0.0 112.363 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -22.81 20.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -156.56 122.34 2.5 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.631 0.729 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 162.56 41.59 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.255 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.707 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -119.53 25.03 10.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.436 HD13 HG23 ' A' ' 707' ' ' VAL . 1.5 mt -125.77 140.38 52.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.634 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 1.3 mt-10 -61.44 -52.81 67.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.655 0.741 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.7 Cg_endo -69.75 -28.86 24.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 707' ' ' VAL . . . . . 0.436 HG23 HD13 ' A' ' 704' ' ' LEU . 35.3 t -67.63 -38.08 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -64.92 -46.03 83.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.49 -42.03 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 710' ' ' SER . . . . . 0.442 ' HA ' HD21 ' A' ' 713' ' ' LEU . 57.3 m -60.02 -38.38 82.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 711' ' ' LEU . . . . . 0.638 ' O ' HD23 ' A' ' 711' ' ' LEU . 3.8 tt -76.02 -29.06 57.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.64 -40.04 66.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.65 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.1 pp -75.95 -32.64 59.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.65 ' N ' HD12 ' A' ' 713' ' ' LEU . 8.5 tp -60.73 -50.59 72.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -38.24 90.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.08 -33.78 76.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -36.31 80.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.816 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.09 68.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.052 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.9 -46.03 83.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -64.02 -46.16 85.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -38.11 81.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -47.44 81.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 31.1 t -66.76 -44.82 80.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -60.51 -49.57 77.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 10.5 m -69.47 -35.9 76.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -36.75 63.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 727' ' ' LYS . . . . . 0.462 ' HE3' HD21 ' A' ' 742' ' ' LEU . 1.5 ptmt -101.64 54.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.769 HG21 ' HB2' ' A' ' 680' ' ' PHE . 0.6 OUTLIER -84.36 179.7 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.728 . . . . 0.0 111.122 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 46.4 p90 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.807 0.336 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -56.65 -49.33 75.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.95 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.53 -28.03 62.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.462 HD21 ' HE3' ' A' ' 727' ' ' LYS . 1.3 mm? -58.99 -49.91 76.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 743' ' ' THR . . . . . 0.903 HG23 ' HB1' ' A' ' 672' ' ' ALA . 1.1 m -57.93 -37.64 74.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -69.44 -35.01 75.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -70.34 -45.22 66.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 746' ' ' VAL . . . . . 0.737 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.5 m -66.78 -38.92 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 47.2 mt -63.62 -45.45 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -62.19 -45.19 94.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 2.4 t -67.05 -46.65 73.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 750' ' ' ALA . . . . . 0.6 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -63.36 -41.79 98.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -67.43 -35.6 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -68.67 -48.19 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -34.77 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 754' ' ' ALA . . . . . 0.564 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.44 -44.12 79.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -63.97 -33.45 75.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.88 -27.01 67.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 757' ' ' ALA . . . . . 0.614 ' HB1' HG22 ' A' ' 658' ' ' THR . . . -70.02 -31.53 69.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 758' ' ' LYS . . . . . 0.416 ' HA ' HG12 ' A' ' 761' ' ' VAL . 2.8 mtpt -66.4 -39.44 89.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 759' ' ' GLN . . . . . 0.4 ' HA ' HG22 ' A' ' 762' ' ' THR . 1.8 mt-30 -74.04 -31.31 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 760' ' ' LEU . . . . . 0.691 ' O ' HG23 ' A' ' 764' ' ' THR . 1.3 tt -78.78 -37.71 40.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 758' ' ' LYS . 7.7 p -73.21 -32.21 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.077 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 762' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 759' ' ' GLN . 15.1 t -77.17 -35.14 56.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.56 -39.16 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.761 HG21 HG11 ' A' ' 654' ' ' VAL . 42.3 p -69.13 -40.99 77.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 88.6 m -65.75 -49.15 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -63.19 -33.32 75.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 644' ' ' PRO . . . . . 0.696 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.767 0.236 . . . . 0.0 112.352 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.45 136.95 20.67 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.579 0.704 . . . . 0.0 110.933 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -48.95 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.296 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 647' ' ' GLY . . . . . 0.56 ' C ' HD23 ' A' ' 648' ' ' LEU . . . -108.07 -132.42 6.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 648' ' ' LEU . . . . . 0.866 HD13 HG21 ' A' ' 654' ' ' VAL . 0.2 OUTLIER -124.77 156.76 68.0 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 0.0 110.9 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -52.12 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 650' ' ' SER . . . . . 0.662 ' O ' HG23 ' A' ' 654' ' ' VAL . 2.7 m -124.14 120.24 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.5 m -66.16 -53.3 39.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -58.03 -48.46 80.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 653' ' ' ASP . . . . . 0.484 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.2 m-20 -50.78 -36.5 37.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 654' ' ' VAL . . . . . 0.866 HG21 HD13 ' A' ' 648' ' ' LEU . 89.5 t -70.11 -46.81 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.03 -53.38 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 656' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 657' ' ' LYS . 4.6 pp -63.34 -29.56 70.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.927 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 657' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' 661' ' ' VAL . 2.3 mmtp -69.74 -37.26 76.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.27 -44.02 16.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -57.74 -36.7 72.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -71.63 -30.52 65.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 661' ' ' VAL . . . . . 0.772 HG22 ' HB1' ' A' ' 690' ' ' ALA . 76.3 t -62.95 -46.78 95.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 662' ' ' THR . . . . . 0.666 ' HA ' HD12 ' A' ' 665' ' ' ILE . 69.0 p -59.53 -37.15 77.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -68.37 -43.09 78.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -60.84 -36.44 79.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 665' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.9 mt -67.13 -38.19 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -33.56 67.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -60.36 -37.36 80.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.759 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.91 -39.14 72.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 669' ' ' LEU . . . . . 0.419 HD21 ' HB1' ' A' ' 750' ' ' ALA . 4.3 mm? -68.29 -49.55 59.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -60.31 -37.19 79.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.34 -31.73 72.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.785 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.68 -49.15 50.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -63.24 -32.3 73.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -86.84 -3.16 59.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 61.51 72.25 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -132.51 74.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -60.18 -29.72 68.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -71.45 -22.87 61.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -6.55 54.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 680' ' ' PHE . . . . . 0.735 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.4 m-30 -71.6 -39.92 70.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 681' ' ' VAL . . . . . 0.569 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -52.47 -56.31 23.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.74 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 682' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.1 Cg_endo -69.74 -43.91 2.4 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 683' ' ' CYS . . . . . 0.759 ' HB3' HD22 ' A' ' 668' ' ' LEU . 12.3 m -57.35 -34.16 68.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 2.5 p -74.71 -44.27 50.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.06 -41.62 90.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -58.36 -36.52 73.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 687' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 691' ' ' VAL . 46.8 mt -68.17 -37.53 78.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 688' ' ' HIS . . . . . 0.438 ' HA ' ' HB1' ' A' ' 718' ' ' ALA . 45.5 t60 -62.78 -36.54 83.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.74 -50.38 72.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 690' ' ' ALA . . . . . 0.772 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -61.21 -36.45 79.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 691' ' ' VAL . . . . . 0.613 HG13 ' HG ' ' A' ' 714' ' ' LEU . 96.8 t -67.7 -51.37 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 692' ' ' THR . . . . . 0.413 ' HG1' ' CE1' ' A' ' 688' ' ' HIS . 97.5 m -66.78 -42.91 85.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.88 -39.03 80.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 1.3 ttm -65.31 -49.63 68.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.96 82.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 11.6 t -55.27 -35.93 65.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 697' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -64.95 -21.72 66.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 698' ' ' PHE . . . . . 0.644 ' CE2' HD22 ' A' ' 648' ' ' LEU . 46.9 m-85 -87.5 154.18 53.61 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.679 0.752 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.18 66.45 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -20.93 31.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.05 88.72 30.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.62 0.724 . . . . 0.0 110.823 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 158.81 55.67 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.754 2.303 . . . . 0.0 112.315 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 703' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -109.84 11.24 24.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 704' ' ' LEU . . . . . 0.409 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.2 OUTLIER -105.83 136.17 45.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 705' ' ' GLU . . . . . 0.656 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 0.8 OUTLIER -62.26 -51.4 74.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.63 0.728 . . . . 0.0 110.868 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 706' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.79 -28.2 25.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 707' ' ' VAL . . . . . 0.405 ' HB ' ' CB ' ' A' ' 704' ' ' LEU . 18.1 t -67.48 -36.01 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -46.44 78.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 14.9 m -75.36 -37.9 60.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 4.8 m -59.12 -35.0 72.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.61 -29.53 68.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -72.98 -48.58 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 713' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.0 pp -72.13 -42.12 66.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 714' ' ' LEU . . . . . 0.613 ' HG ' HG13 ' A' ' 691' ' ' VAL . 21.1 tp -58.48 -51.1 71.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -65.13 -41.38 94.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.61 -33.77 76.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -46.87 87.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 718' ' ' ALA . . . . . 0.438 ' HB1' ' HA ' ' A' ' 688' ' ' HIS . . . -60.78 -43.41 98.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -41.01 77.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 39.1 mtt85 -64.69 -42.98 94.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.22 -48.67 69.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -34.93 79.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 4.9 m -66.39 -37.82 86.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -68.96 -49.14 60.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 725' ' ' CYS . . . . . 0.444 ' O ' HG23 ' A' ' 728' ' ' THR . 40.4 m -62.85 -27.75 69.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.59 -36.88 62.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -96.04 53.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 728' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 725' ' ' CYS . 1.1 p -91.88 179.13 5.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 111.13 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 55.8 p90 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.871 0.367 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -59.74 -51.03 71.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.03 -27.59 68.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.72 -47.32 84.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 743' ' ' THR . . . . . 0.785 HG23 ' HB1' ' A' ' 672' ' ' ALA . 27.0 m -57.95 -37.61 74.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -69.69 -34.88 74.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -70.4 -45.08 66.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 746' ' ' VAL . . . . . 0.735 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.1 m -66.73 -38.62 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 747' ' ' ILE . . . . . 0.553 ' CD1' HG22 ' A' ' 743' ' ' THR . 47.6 mt -63.68 -44.92 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.09 -46.65 88.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 85.3 m -67.62 -42.19 82.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 750' ' ' ALA . . . . . 0.419 ' HB1' HD21 ' A' ' 669' ' ' LEU . . . -65.12 -42.29 94.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.43 -35.89 80.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -69.95 -48.5 58.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 753' ' ' ILE . . . . . 0.486 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.19 -34.69 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.6 -44.12 78.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -32.01 65.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.88 -29.03 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.79 -30.9 70.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 758' ' ' LYS . . . . . 0.405 ' HA ' HG12 ' A' ' 761' ' ' VAL . 7.1 mtpt -58.82 -38.34 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.35 -29.36 62.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -39.38 38.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 761' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 758' ' ' LYS . 10.0 p -71.38 -35.68 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.1 t -72.21 -34.8 68.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.0 mm -66.77 -40.54 86.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 764' ' ' THR . . . . . 0.666 HG21 HG11 ' A' ' 654' ' ' VAL . 74.2 p -69.01 -41.59 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 91.5 m -65.38 -49.01 70.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -65.45 -32.65 74.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.902 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.845 0.355 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.01 -61.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 153.34 -121.94 1.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.69 160.61 2.68 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.564 0.697 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.685 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.3 Cg_endo -69.76 152.12 69.24 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.533 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.8 OUTLIER -94.31 135.51 24.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.572 0.701 . . . . 0.0 110.867 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -49.11 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.724 2.283 . . . . 0.0 112.329 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -113.82 -148.85 10.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.703 HD23 ' CE2' ' A' ' 698' ' ' PHE . 0.5 OUTLIER -104.37 152.69 39.32 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.651 0.739 . . . . 0.0 110.912 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.267 . . . . 0.0 112.369 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 654' ' ' VAL . 5.1 m -123.78 120.61 33.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.43 -53.35 44.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -58.43 -48.41 80.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.525 ' HA ' HD21 ' A' ' 656' ' ' LEU . 37.4 m-20 -51.39 -36.68 44.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.791 HG11 HG21 ' A' ' 764' ' ' THR . 85.4 t -69.2 -47.25 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.46 -52.94 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.37 -29.93 70.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.734 ' O ' HG23 ' A' ' 661' ' ' VAL . 4.4 mmtp -70.93 -36.75 72.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.427 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.4 OUTLIER -82.42 -44.42 16.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -57.78 -36.36 72.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -71.8 -30.92 66.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 657' ' ' LYS . 73.5 t -63.76 -45.05 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.661 ' HA ' HD12 ' A' ' 665' ' ' ILE . 68.3 p -60.86 -37.66 82.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.35 -43.06 78.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -60.97 -34.45 74.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.661 HD12 ' HA ' ' A' ' 662' ' ' THR . 16.5 mt -69.31 -39.92 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -55.79 -34.43 65.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -61.29 -38.97 88.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.07 -38.41 72.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.558 HD21 ' CB ' ' A' ' 750' ' ' ALA . 24.1 mt -70.04 -49.16 54.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -60.44 -37.1 79.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' A' ' 676' ' ' LYS . . . -68.26 -29.03 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.732 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.13 -48.98 48.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -64.21 -26.49 68.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -95.46 7.84 45.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 51.76 73.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.421 ' HB2' ' HB1' ' A' ' 671' ' ' ALA . 14.2 mmmt -128.85 66.0 1.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -55.59 -33.44 63.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -71.41 -22.24 61.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 75.5 m -91.21 -5.27 55.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 680' ' ' PHE . . . . . 0.742 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -72.08 -36.55 69.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.563 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.72 -56.15 33.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.749 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.0 Cg_endo -69.76 -42.63 3.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.645 2.23 . . . . 0.0 112.334 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.72 ' HB3' HD22 ' A' ' 668' ' ' LEU . 10.9 m -58.24 -38.96 77.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 1.4 t -75.02 -32.34 61.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.15 -47.53 64.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -58.3 -33.53 69.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.455 HD11 ' HB2' ' A' ' 668' ' ' LEU . 66.3 mt -68.75 -37.77 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -64.77 -36.75 85.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.75 -46.77 81.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.66 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.19 -36.59 84.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.724 HG13 ' HG ' ' A' ' 714' ' ' LEU . 89.5 t -68.27 -51.47 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 51.6 m -67.15 -43.54 82.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.92 -42.64 94.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -50.1 66.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.79 79.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -36.57 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -62.87 -20.79 65.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.703 ' CE2' HD23 ' A' ' 648' ' ' LEU . 88.2 m-85 -88.32 153.94 51.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.672 0.749 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.89 20.24 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.67 2.247 . . . . 0.0 112.4 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.66 -6.98 50.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.0 92.67 4.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.59 0.709 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 155.13 66.79 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.685 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.9 16.06 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.444 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.3 OUTLIER -111.02 137.14 49.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.653 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 2.9 mt-10 -62.01 -51.7 73.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.635 0.731 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.78 -28.78 24.76 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 20.9 t -66.9 -37.13 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -65.91 -46.05 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 26.3 m -75.16 -36.51 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 710' ' ' SER . . . . . 0.425 ' HB3' HD23 ' A' ' 760' ' ' LEU . 18.4 m -58.99 -34.54 71.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.05 -29.78 67.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -72.6 -48.32 40.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.545 HD13 ' HB1' ' A' ' 756' ' ' ALA . 3.3 pp -71.74 -40.33 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.724 ' HG ' HG13 ' A' ' 691' ' ' VAL . 4.3 tp -61.46 -51.21 69.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -64.88 -40.32 94.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -66.98 -33.83 76.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -48.15 81.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 718' ' ' ALA . . . . . 0.664 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -68.72 -29.94 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -45.97 58.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -45.3 93.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -40.63 89.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -47.12 78.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 17.1 t -66.25 -38.5 88.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.14 -49.57 55.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 725' ' ' CYS . . . . . 0.715 ' O ' HG23 ' A' ' 728' ' ' THR . 18.3 m -69.44 -27.8 65.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -53.79 -36.79 62.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.82 70.41 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 725' ' ' CYS . 3.7 p -90.55 -177.63 5.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.866 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.4 t -119.13 65.1 7.38 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.657 0.742 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.932 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.8 Cg_endo -69.76 -25.99 28.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.932 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.9 Cg_endo -69.76 -165.31 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.385 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.451 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 1.3 pt-20 -50.25 156.33 1.45 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 54.0 Cg_endo -69.73 -15.36 37.15 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.382 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -92.09 7.56 78.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.617 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -50.99 161.84 0.65 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.617 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.9 Cg_endo -69.73 -37.55 9.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.53 ' HB ' HG22 ' A' ' 729' ' ' VAL . 44.7 t -51.05 147.91 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.73 83.01 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -51.84 -40.07 59.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -60.07 -41.95 93.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -27.82 61.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -49.66 76.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 743' ' ' THR . . . . . 0.732 HG23 ' HB1' ' A' ' 672' ' ' ALA . 1.3 m -57.97 -37.46 74.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -69.6 -35.0 74.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -70.23 -45.06 67.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 746' ' ' VAL . . . . . 0.742 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.0 m -66.99 -38.85 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.66 -46.81 91.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -61.85 -46.11 90.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 5.6 t -66.72 -47.8 71.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 750' ' ' ALA . . . . . 0.558 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -61.74 -42.2 98.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.37 -35.82 80.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.03 -48.26 63.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 753' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.05 -34.74 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.486 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.63 -44.18 78.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -71.92 -35.23 69.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 756' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -60.84 -26.91 67.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.62 -32.37 65.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 758' ' ' LYS . . . . . 0.403 ' HA ' HG12 ' A' ' 761' ' ' VAL . 15.2 mtpt -58.79 -38.31 78.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -72.99 -28.48 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 760' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 764' ' ' THR . 0.3 OUTLIER -78.51 -39.26 38.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.427 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.4 p -71.62 -36.49 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.2 t -70.84 -33.64 70.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.71 -38.96 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.791 HG21 HG11 ' A' ' 654' ' ' VAL . 29.3 p -68.97 -41.99 77.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 95.9 m -66.03 -49.1 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -65.15 -31.56 72.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.85 153.25 37.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.87 -35.93 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 52.7 57.82 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 179.912 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.812 0.339 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.58 164.61 14.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -108.95 141.37 15.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.02 160.48 0.12 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.834 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.691 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.1 Cg_endo -69.72 152.2 69.46 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.748 2.298 . . . . 0.0 112.351 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 2.7 t70 -96.72 136.83 21.52 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.544 0.688 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.13 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.32 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -111.21 -144.71 9.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.683 HD22 HG21 ' A' ' 654' ' ' VAL . 0.4 OUTLIER -113.01 152.46 44.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.572 0.701 . . . . 0.0 110.943 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.638 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.9 m -123.46 120.57 33.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.7 m -65.7 -52.49 50.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.68 -48.26 80.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.539 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.5 t70 -51.1 -37.09 43.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.778 HG11 HG21 ' A' ' 764' ' ' THR . 95.9 t -69.28 -46.72 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.82 -52.81 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.7 pp -64.01 -30.94 71.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.737 ' O ' HG23 ' A' ' 661' ' ' VAL . 1.4 mmtt -70.63 -36.32 73.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.96 -44.18 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.85 -36.65 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -71.63 -30.73 66.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.793 HG22 ' HB1' ' A' ' 690' ' ' ALA . 71.1 t -64.17 -46.06 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.688 ' HA ' HD12 ' A' ' 665' ' ' ILE . 75.8 p -59.63 -35.84 75.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.27 -43.88 76.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -60.73 -36.99 80.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.0 mt -66.22 -40.59 87.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -34.49 66.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.31 -38.27 86.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.33 -39.33 71.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.545 HD21 ' CB ' ' A' ' 750' ' ' ALA . 23.5 mt -69.64 -49.34 54.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -60.01 -36.96 78.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -70.09 -30.1 67.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.415 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.8 -49.15 49.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -62.32 -38.25 88.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -80.78 -2.9 49.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 61.49 73.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -132.25 75.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -60.41 -29.98 69.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -71.4 -22.77 61.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.93 -6.72 53.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 680' ' ' PHE . . . . . 0.741 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.2 m-30 -71.48 -34.4 70.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.569 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -58.22 -56.23 37.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.4 Cg_endo -69.77 -43.28 2.74 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.632 2.221 . . . . 0.0 112.36 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.694 ' HB3' HD22 ' A' ' 668' ' ' LEU . 15.5 m -58.15 -37.17 74.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 2.1 t -75.46 -32.19 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -71.86 -47.34 53.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -57.58 -35.82 70.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.541 ' O ' HG23 ' A' ' 691' ' ' VAL . 58.0 mt -67.44 -37.3 78.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -64.89 -36.8 85.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.6 mt -57.18 -49.28 76.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.793 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.81 -36.39 83.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.7 HG13 ' HG ' ' A' ' 714' ' ' LEU . 98.1 t -68.59 -51.5 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 92.0 m -67.11 -43.66 81.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.94 -35.59 73.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 694' ' ' MET . . . . . 0.45 ' O ' HD23 ' A' ' 697' ' ' LEU . 3.0 ttp -65.15 -50.67 65.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -52.78 -36.75 58.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 30.5 t -55.9 -32.47 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.7 -20.98 65.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.615 ' CE1' HD23 ' A' ' 648' ' ' LEU . 88.6 m-85 -96.94 155.44 37.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 174.12 10.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -24.01 21.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -150.11 117.81 3.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 110.809 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.31 38.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.691 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -120.33 21.01 11.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.42 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.3 OUTLIER -119.9 139.98 51.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.638 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 10.7 mt-10 -61.46 -52.69 68.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.738 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.5 Cg_endo -69.76 -29.51 23.75 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 28.4 t -66.74 -38.54 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -65.32 -46.23 81.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 58.1 m -73.42 -39.46 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 34.7 m -59.29 -29.84 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.17 -29.95 63.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -72.3 -48.38 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.4 pp -70.49 -39.19 74.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.7 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.5 tp -63.67 -51.26 65.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -65.17 -46.06 82.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.84 76.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -42.64 99.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 718' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -73.02 -30.0 63.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -71.45 -46.06 61.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 17.6 mtt85 -62.6 -43.83 97.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -40.15 88.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -47.05 78.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 31.2 t -66.57 -38.45 87.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -69.14 -49.94 52.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 725' ' ' CYS . . . . . 0.733 ' O ' HG23 ' A' ' 728' ' ' THR . 17.6 m -69.45 -27.87 65.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -53.69 -36.76 62.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -103.83 70.69 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 725' ' ' CYS . 5.1 p -88.79 -177.85 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.858 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.2 t -119.4 64.89 8.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.683 0.754 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.931 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.1 Cg_endo -69.83 -26.05 27.66 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.698 2.265 . . . . 0.0 112.288 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.931 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.3 Cg_endo -69.8 -164.96 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.629 2.219 . . . . 0.0 112.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.451 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 16.5 pt-20 -49.53 155.82 1.26 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.7 Cg_endo -69.77 -17.99 37.2 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.723 2.282 . . . . 0.0 112.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -90.06 8.54 79.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.619 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.53 161.71 0.8 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.598 0.713 . . . . 0.0 111.066 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.619 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 54.0 Cg_endo -69.78 -37.0 9.73 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.509 ' CG1' HG22 ' A' ' 729' ' ' VAL . 41.0 t -51.03 148.55 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.56 81.37 4.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -51.9 -38.63 56.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -56.36 -43.25 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -27.9 61.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -49.45 77.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 743' ' ' THR . . . . . 0.415 HG23 ' HB1' ' A' ' 672' ' ' ALA . 0.2 OUTLIER -57.99 -37.91 75.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -69.06 -34.99 76.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -70.01 -45.0 68.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 746' ' ' VAL . . . . . 0.741 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.3 m -67.87 -39.01 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.0 mt -64.59 -49.3 81.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -62.1 -45.92 91.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 71.7 m -65.08 -47.9 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 750' ' ' ALA . . . . . 0.545 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -63.1 -42.0 99.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.042 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.48 -35.76 79.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.33 -48.28 61.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 753' ' ' ILE . . . . . 0.505 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.06 -34.8 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.084 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.456 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.72 -43.93 78.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -66.08 -32.91 74.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.89 -26.96 67.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -64.52 -30.13 71.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 758' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 761' ' ' VAL . 9.2 mtpt -66.72 -39.85 88.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -73.99 -31.28 62.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 760' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 764' ' ' THR . 0.4 OUTLIER -78.94 -37.8 38.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 758' ' ' LYS . 7.0 p -72.96 -32.26 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.2 t -76.93 -35.19 57.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.9 mm -66.57 -38.79 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.778 HG21 HG11 ' A' ' 654' ' ' VAL . 43.0 p -67.96 -43.35 79.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.4 m -66.16 -49.19 68.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -24.23 62.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -51.78 161.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -63.2 -26.63 68.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.75 93.39 9.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 179.886 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -141.39 -74.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 165.87 123.16 0.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.98 156.35 0.12 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.564 0.697 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.719 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.7 Cg_endo -69.76 152.08 69.21 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.632 2.221 . . . . 0.0 112.364 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.54 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 2.1 t70 -92.78 134.29 27.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.551 0.691 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -49.19 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.303 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 647' ' ' GLY . . . . . 0.555 ' C ' HD23 ' A' ' 648' ' ' LEU . . . -116.42 -131.5 4.76 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.819 HD13 HG21 ' A' ' 654' ' ' VAL . 0.3 OUTLIER -124.98 154.28 71.22 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.639 0.733 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -51.76 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.326 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.71 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.4 m -124.22 120.7 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.78 -53.07 45.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.135 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -57.92 -48.66 79.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.49 ' HA ' HD21 ' A' ' 656' ' ' LEU . 3.1 t0 -51.25 -35.96 39.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.819 HG21 HD13 ' A' ' 648' ' ' LEU . 98.1 t -70.08 -46.94 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.64 -53.26 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 653' ' ' ASP . 4.4 pp -64.46 -29.25 70.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.745 ' O ' HG23 ' A' ' 661' ' ' VAL . 3.4 mmtm -71.17 -36.6 72.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.445 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.5 -44.37 16.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -57.58 -36.18 71.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -71.79 -30.49 65.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.841 HG22 ' HB1' ' A' ' 690' ' ' ALA . 72.6 t -63.06 -47.4 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.711 ' HA ' HD12 ' A' ' 665' ' ' ILE . 68.9 p -58.92 -36.5 74.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -68.25 -44.67 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -60.67 -31.75 70.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 662' ' ' THR . 17.5 mt -72.19 -38.14 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.67 -34.9 69.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -36.1 79.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.09 -38.02 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.67 -49.02 64.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -60.51 -37.24 80.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -66.69 -32.84 74.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.416 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.29 -49.14 45.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -62.72 -24.08 67.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -95.21 10.81 34.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 51.48 66.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -129.22 85.6 2.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -64.94 -38.55 91.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.37 -23.46 63.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 39.5 m -75.49 -15.02 60.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -71.95 -35.34 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -54.84 -57.26 20.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.8 Cg_endo -69.75 -44.54 2.03 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.246 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.701 ' HB3' HD22 ' A' ' 668' ' ' LEU . 23.3 m -59.97 -33.77 72.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 65.0 m -75.52 -32.42 60.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.58 -48.32 64.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -58.67 -39.14 79.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 691' ' ' VAL . 57.6 mt -65.53 -37.33 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -63.43 -37.16 86.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.44 -50.3 73.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.841 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.36 -36.47 82.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.771 HG13 ' HG ' ' A' ' 714' ' ' LEU . 92.1 t -67.96 -51.42 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 94.6 m -67.19 -43.32 82.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.94 -38.95 80.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -49.58 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.34 83.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 43.4 t -55.41 -38.13 68.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.78 -21.01 65.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.443 ' CE1' HD22 ' A' ' 648' ' ' LEU . 72.5 m-85 -94.65 153.64 40.16 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.584 0.707 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 176.61 6.52 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.391 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -3.78 37.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 701' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 702' ' ' PRO . 6.9 ttm180 -154.29 93.53 2.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 702' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 701' ' ' ARG . 53.7 Cg_endo -69.79 159.34 53.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.719 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.35 7.44 20.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.49 136.74 38.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.642 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 1.9 mt-10 -61.71 -51.57 75.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.3 Cg_endo -69.8 -29.11 24.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.64 2.226 . . . . 0.0 112.337 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.68 -36.45 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -65.31 -46.08 81.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 43.2 m -75.27 -39.6 59.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 43.8 t -59.31 -32.73 70.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -29.7 68.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -72.61 -48.31 40.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.4 pp -72.14 -39.95 68.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.771 ' HG ' HG13 ' A' ' 691' ' ' VAL . 2.0 tp -62.97 -51.05 68.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.08 -41.14 95.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.92 76.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 1.7 m -61.9 -48.04 82.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.88 68.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -74.79 -45.38 43.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -62.01 -45.36 93.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -38.93 83.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.96 -45.59 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 6.1 t -66.16 -37.73 86.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -66.84 -49.38 65.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 725' ' ' CYS . . . . . 0.6 ' O ' HG23 ' A' ' 728' ' ' THR . 12.3 p -69.17 -27.02 65.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -36.93 84.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 727' ' ' LYS . . . . . 0.467 ' O ' HD21 ' A' ' 742' ' ' LEU . 1.0 OUTLIER -105.71 74.11 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 725' ' ' CYS . 50.7 p -102.59 -175.77 2.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.86 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.7 t -119.57 64.93 8.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.656 0.741 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.927 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.1 Cg_endo -69.74 -26.08 28.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.927 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.8 Cg_endo -69.75 -165.0 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.356 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.451 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.7 OUTLIER -50.06 156.36 1.36 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.7 Cg_endo -69.76 -14.53 36.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.623 2.216 . . . . 0.0 112.368 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -93.89 8.55 73.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.2 161.49 0.74 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.621 0.724 . . . . 0.0 111.075 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.5 Cg_endo -69.79 -37.29 9.3 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.262 . . . . 0.0 112.364 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.567 ' HB ' HG22 ' A' ' 729' ' ' VAL . 48.7 t -51.0 147.26 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.84 85.69 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -51.88 -30.07 22.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -60.21 -43.91 95.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.7 -28.54 61.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.3 OUTLIER -58.87 -50.96 72.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 743' ' ' THR . . . . . 0.459 HG22 HD11 ' A' ' 747' ' ' ILE . 1.8 m -59.83 -36.55 77.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -69.59 -35.18 75.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -70.02 -45.44 67.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.4 m -66.55 -38.75 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 747' ' ' ILE . . . . . 0.459 HD11 HG22 ' A' ' 743' ' ' THR . 56.3 mt -66.3 -49.93 71.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -59.51 -46.44 88.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 93.7 m -63.74 -44.58 93.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.32 94.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -67.8 -35.76 79.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -70.0 -48.47 57.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 753' ' ' ILE . . . . . 0.413 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.0 -34.19 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.527 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.35 -44.0 80.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -29.01 70.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -68.76 -34.24 75.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -62.01 -33.66 74.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 758' ' ' LYS . . . . . 0.411 ' HA ' HG12 ' A' ' 761' ' ' VAL . 10.7 mtpt -66.78 -39.59 87.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.11 -31.53 62.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 1.3 tt -78.69 -37.61 41.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.445 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.1 p -73.22 -32.27 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.2 t -77.14 -35.17 56.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.49 -41.85 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.575 HG21 HG11 ' A' ' 654' ' ' VAL . 75.4 p -69.03 -41.05 78.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 89.3 m -65.54 -48.36 72.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -65.63 -31.71 72.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -59.64 153.83 19.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.26 35.37 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.13 85.76 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -150.31 -169.97 3.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -128.35 -66.45 0.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.83 160.03 31.22 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.607 0.718 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.705 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.4 Cg_endo -69.77 152.27 69.22 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.641 2.228 . . . . 0.0 112.327 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.475 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 2.4 t70 -97.28 136.88 21.22 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.631 0.729 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.1 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.248 . . . . 0.0 112.302 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -106.38 -147.86 15.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.845 HD13 HG21 ' A' ' 654' ' ' VAL . 0.2 OUTLIER -113.14 157.35 41.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 110.915 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -52.26 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.287 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.595 ' O ' HG23 ' A' ' 654' ' ' VAL . 6.2 m -124.4 119.88 30.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -66.42 -53.22 38.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.122 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -57.65 -47.54 81.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.525 ' HA ' HD21 ' A' ' 656' ' ' LEU . 11.3 m-20 -50.71 -37.22 40.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.845 HG21 HD13 ' A' ' 648' ' ' LEU . 85.9 t -69.24 -47.1 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.83 -52.62 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -65.08 -30.23 71.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.739 ' O ' HG23 ' A' ' 661' ' ' VAL . 4.5 mmtp -71.28 -36.81 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.576 HG21 ' CG2' ' A' ' 761' ' ' VAL . 0.8 OUTLIER -82.02 -44.53 16.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -57.45 -36.46 71.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.414 HE21 ' HB2' ' A' ' 690' ' ' ALA . 14.9 pt20 -71.92 -30.77 65.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 657' ' ' LYS . 68.1 t -63.72 -45.54 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.72 ' HA ' HD12 ' A' ' 665' ' ' ILE . 72.4 p -60.72 -36.91 80.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.31 -44.14 76.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -60.8 -35.4 76.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.72 HD12 ' HA ' ' A' ' 662' ' ' THR . 14.4 mt -67.43 -37.97 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.09 -34.55 72.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -61.43 -36.24 79.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.8 -37.89 73.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.38 -49.03 65.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -60.42 -37.46 80.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.61 71.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.567 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.62 -49.29 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -64.37 -23.53 67.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -93.2 10.02 33.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 51.65 62.87 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -127.1 84.27 2.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -64.86 -38.67 91.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.32 -22.89 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 34.1 m -75.48 -14.94 60.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -71.61 -35.39 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.545 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.11 -57.26 20.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.647 0.737 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.8 Cg_endo -69.74 -44.69 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.744 2.296 . . . . 0.0 112.324 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.729 ' HB3' HD22 ' A' ' 668' ' ' LEU . 25.8 m -59.74 -35.08 73.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 684' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 687' ' ' ILE . 9.9 t -74.69 -32.2 62.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -69.72 -47.63 62.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -58.6 -34.32 70.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.48 HD12 HD23 ' A' ' 668' ' ' LEU . 52.8 mt -68.67 -37.78 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.116 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 688' ' ' HIS . . . . . 0.565 ' CD2' ' HB1' ' A' ' 718' ' ' ALA . 59.4 t-80 -64.13 -36.57 84.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.9 -48.06 79.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.697 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.09 -36.7 84.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.762 HG13 ' HG ' ' A' ' 714' ' ' LEU . 96.1 t -67.31 -51.77 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 59.5 m -67.45 -43.12 81.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.25 -43.1 99.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 1.7 ttt -65.08 -50.06 67.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.35 83.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 20.0 t -55.82 -36.98 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -63.08 -22.94 67.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.625 ' CE2' HD22 ' A' ' 648' ' ' LEU . 48.3 m-85 -86.25 151.6 54.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.32 64.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -20.11 40.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -130.33 87.12 51.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.16 69.23 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.705 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -112.84 20.93 16.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.449 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.3 OUTLIER -116.86 137.9 51.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.648 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 12.3 mt-10 -61.57 -51.92 73.4 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.707 0.765 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.7 Cg_endo -69.81 -29.53 23.46 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.1 t -66.75 -39.05 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -65.68 -46.03 80.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 59.0 m -73.47 -37.06 65.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 5.2 t -59.01 -34.55 72.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -29.8 68.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -72.48 -48.49 40.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.81 HD13 ' HB1' ' A' ' 756' ' ' ALA . 3.3 pp -71.52 -40.53 70.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.762 ' HG ' HG13 ' A' ' 691' ' ' VAL . 19.4 tp -64.62 -50.45 67.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -65.15 -40.57 94.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.12 -33.83 76.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -48.1 82.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 718' ' ' ALA . . . . . 0.565 ' HB1' ' CD2' ' A' ' 688' ' ' HIS . . . -63.11 -29.93 71.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -76.52 -46.01 28.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -60.96 -44.18 97.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -44.98 94.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -56.95 -34.89 68.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -37.57 85.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.9 -49.38 58.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 725' ' ' CYS . . . . . 0.494 ' O ' HG23 ' A' ' 728' ' ' THR . 7.2 p -65.39 -26.64 68.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -49.1 77.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 727' ' ' LYS . . . . . 0.654 ' O ' HD21 ' A' ' 742' ' ' LEU . 6.1 mtmt -96.05 71.25 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 725' ' ' CYS . 14.4 p -100.33 -177.75 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.865 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.7 t -119.89 64.82 9.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.648 0.737 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.921 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.6 Cg_endo -69.74 -26.06 28.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.384 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.921 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.1 Cg_endo -69.75 -165.11 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.264 . . . . 0.0 112.335 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.452 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 1.1 pt-20 -49.61 156.43 1.17 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.671 0.748 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 54.1 Cg_endo -69.76 -13.79 35.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -95.24 8.97 69.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -50.96 161.47 0.68 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 111.059 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.9 Cg_endo -69.74 -37.25 9.48 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.584 ' HB ' HG22 ' A' ' 729' ' ' VAL . 52.0 t -51.02 146.95 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.17 84.81 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -52.12 -24.68 7.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -67.93 -45.79 73.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -29.26 61.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.654 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.2 OUTLIER -58.97 -50.23 74.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 743' ' ' THR . . . . . 0.567 HG23 ' HB1' ' A' ' 672' ' ' ALA . 3.4 m -58.12 -32.84 68.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -69.23 -35.42 76.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -69.19 -45.14 70.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.6 m -67.86 -38.85 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 747' ' ' ILE . . . . . 0.557 ' CD1' HG22 ' A' ' 743' ' ' THR . 60.4 mt -66.99 -50.26 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -59.18 -46.35 88.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 2.1 t -64.79 -48.16 75.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.93 92.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -67.75 -35.66 79.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -70.53 -48.21 56.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -34.19 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.587 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.25 -44.13 80.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -74.09 -37.13 64.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 756' ' ' ALA . . . . . 0.81 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -61.83 -26.97 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.11 -22.14 61.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 758' ' ' LYS . . . . . 0.527 ' HA ' HG12 ' A' ' 761' ' ' VAL . 7.7 mtpt -68.46 -30.28 69.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -73.22 -41.26 63.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 760' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 761' ' ' VAL . 4.4 pp -77.87 -29.03 50.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.644 ' N ' HD12 ' A' ' 760' ' ' LEU . 1.4 p -80.73 -30.95 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 10.7 t -78.81 -32.64 46.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.39 -38.93 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 760' ' ' LEU . 72.1 p -67.62 -43.35 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.7 m -66.38 -48.99 68.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -22.52 61.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -51.7 166.22 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -95.78 28.04 3.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.3 23.51 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.789 0.328 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -163.18 -170.4 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -89.81 -134.63 5.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.449 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.15 160.57 6.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.553 0.692 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.69 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.1 Cg_endo -69.8 152.26 69.04 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.716 2.277 . . . . 0.0 112.287 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.9 OUTLIER -97.57 137.34 21.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.654 0.74 . . . . 0.0 110.869 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 646' ' ' PRO . . . . . 0.483 ' O ' HD13 ' A' ' 704' ' ' LEU . 54.2 Cg_endo -69.72 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.242 . . . . 0.0 112.405 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 647' ' ' GLY . . . . . 0.489 ' C ' HD13 ' A' ' 648' ' ' LEU . . . -107.97 -149.7 14.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.561 HD12 ' CE2' ' A' ' 698' ' ' PHE . 0.3 OUTLIER -107.48 152.36 41.32 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.58 0.705 . . . . 0.0 110.909 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.6 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 654' ' ' VAL . 3.1 m -123.55 120.49 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.55 -53.29 44.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.108 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -48.22 80.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.517 ' HA ' HD21 ' A' ' 656' ' ' LEU . 57.4 m-20 -51.57 -37.05 47.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.733 HG11 HG21 ' A' ' 764' ' ' THR . 96.6 t -69.19 -47.19 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.19 -52.63 53.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.517 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.85 -30.25 71.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.729 ' O ' HG23 ' A' ' 661' ' ' VAL . 1.5 mmtt -71.08 -36.67 72.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.31 -44.39 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -36.5 71.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -71.61 -30.84 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 657' ' ' LYS . 79.0 t -64.14 -44.86 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.713 ' HA ' HD12 ' A' ' 665' ' ' ILE . 82.2 p -61.18 -36.8 80.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.3 -44.65 75.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -60.81 -31.92 71.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.7 mt -71.52 -37.78 65.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.58 -34.25 75.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.13 -36.72 80.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.09 -38.14 72.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 669' ' ' LEU . 4.2 mm? -66.7 -49.14 67.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -60.41 -37.41 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.05 -32.61 73.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.563 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.74 -48.91 51.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -64.06 -26.0 68.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.958 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -96.76 7.99 45.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 51.68 73.77 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -129.9 67.03 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -55.78 -32.56 63.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -71.39 -22.53 61.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 48.7 m -90.75 -5.73 55.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 680' ' ' PHE . . . . . 0.733 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -72.14 -35.22 69.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.561 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -56.1 -56.49 30.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.612 0.72 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.8 -44.93 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.724 2.282 . . . . 0.0 112.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.736 ' HB3' HD22 ' A' ' 668' ' ' LEU . 29.2 m -59.21 -39.81 83.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 684' ' ' SER . . . . . 0.427 ' HA ' HD12 ' A' ' 687' ' ' ILE . 6.7 t -74.78 -32.25 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -72.21 -46.99 53.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -57.53 -33.55 68.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.485 HD12 HD23 ' A' ' 668' ' ' LEU . 52.9 mt -68.04 -37.55 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 688' ' ' HIS . . . . . 0.55 ' HA ' ' HB1' ' A' ' 718' ' ' ALA . 38.6 t-80 -65.82 -37.12 85.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 6.2 mt -56.92 -45.63 82.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.682 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.02 -36.58 84.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.827 HG21 ' HB2' ' A' ' 718' ' ' ALA . 94.1 t -69.38 -51.38 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 63.5 m -66.39 -42.99 87.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.91 -37.64 77.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -50.07 67.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -60.28 -36.19 77.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 4.6 t -55.98 -32.36 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.458 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -70.27 -20.84 63.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.561 ' CE2' HD12 ' A' ' 648' ' ' LEU . 41.5 m-85 -84.97 158.09 59.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 167.31 24.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -29.76 14.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -148.56 121.09 4.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.586 0.707 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.67 30.18 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.69 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -122.27 25.14 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.561 HD23 HG23 ' A' ' 707' ' ' VAL . 1.2 tp -125.48 139.73 53.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.647 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 2.3 mt-10 -61.32 -51.97 74.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.734 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.77 -29.67 23.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 707' ' ' VAL . . . . . 0.561 HG23 HD23 ' A' ' 704' ' ' LEU . 24.8 t -66.77 -38.95 82.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -65.41 -46.2 80.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 67.1 m -72.79 -39.35 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 3.4 t -59.36 -29.95 68.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.05 -30.02 63.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -72.28 -48.12 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.4 pp -70.89 -39.37 72.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.669 ' HG ' HG13 ' A' ' 691' ' ' VAL . 5.0 tp -61.86 -51.12 69.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.961 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -65.14 -40.07 93.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.87 -34.03 77.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -48.08 82.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 718' ' ' ALA . . . . . 0.827 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -73.06 -39.39 65.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.03 -36.54 84.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 10.9 mtt85 -71.7 -42.2 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -47.0 85.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -41.02 99.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 30.3 t -66.02 -43.63 87.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -68.63 -48.89 62.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 725' ' ' CYS . . . . . 0.497 ' O ' HG23 ' A' ' 728' ' ' THR . 33.2 m -66.94 -27.71 67.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -36.8 66.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -102.16 37.98 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 725' ' ' CYS . 0.9 OUTLIER -59.99 178.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.888 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 8.4 p -125.85 57.37 18.5 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.595 0.712 . . . . 0.0 111.176 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.936 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.0 Cg_endo -69.73 -25.19 29.01 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.665 2.244 . . . . 0.0 112.331 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.936 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.1 Cg_endo -69.73 -90.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.483 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.8 OUTLIER -133.38 157.61 77.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.643 0.735 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.2 Cg_endo -69.81 -17.32 37.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -70.89 -12.39 71.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.479 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.681 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -57.58 163.46 3.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 111.055 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.681 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.6 Cg_endo -69.75 -7.35 20.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.279 . . . . 0.0 112.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 99.0 t -100.42 124.63 54.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.4 110.46 12.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 739' ' ' PHE . . . . . 0.685 ' HB3' HG11 ' A' ' 729' ' ' VAL . 27.7 p90 -58.89 -32.63 69.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -62.71 -39.63 94.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.17 -27.83 61.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -51.23 70.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 743' ' ' THR . . . . . 0.563 HG23 ' HB1' ' A' ' 672' ' ' ALA . 1.5 m -57.95 -38.54 76.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -34.57 74.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -71.04 -45.04 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 746' ' ' VAL . . . . . 0.733 HG11 ' CE2' ' A' ' 680' ' ' PHE . 27.2 m -66.86 -38.87 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 747' ' ' ILE . . . . . 0.444 HD11 HG22 ' A' ' 743' ' ' THR . 51.4 mt -65.38 -50.35 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -62.49 -45.92 90.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 52.0 m -64.97 -48.05 75.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 750' ' ' ALA . . . . . 0.446 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -60.26 -41.98 94.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.32 -35.9 80.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -70.23 -48.53 56.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 753' ' ' ILE . . . . . 0.424 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.16 -34.53 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.484 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.39 -44.05 79.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -65.93 -37.75 86.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -61.01 -26.97 67.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.06 -43.58 87.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -58.91 -38.16 78.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -28.38 62.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 760' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 764' ' ' THR . 0.2 OUTLIER -78.67 -39.29 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.61 -36.48 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.3 t -70.53 -33.0 70.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.49 -41.52 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.733 HG21 HG11 ' A' ' 654' ' ' VAL . 19.5 p -69.01 -41.43 77.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 86.2 m -64.04 -48.49 76.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -67.86 -32.09 72.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.2 169.54 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -53.42 -28.6 30.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 107.94 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.828 0.347 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.42 -172.12 1.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -108.28 125.58 7.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 63.07 160.08 0.12 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.721 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.2 Cg_endo -69.73 152.11 69.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.512 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 6.6 t70 -94.05 135.22 24.86 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -49.01 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.393 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 647' ' ' GLY . . . . . 0.466 ' C ' HD13 ' A' ' 648' ' ' LEU . . . -110.79 -148.68 11.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.596 HD12 ' CE2' ' A' ' 698' ' ' PHE . 0.3 OUTLIER -105.74 152.81 40.23 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.563 0.697 . . . . 0.0 110.95 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.694 ' O ' HG23 ' A' ' 654' ' ' VAL . 9.6 m -123.9 119.93 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.3 m -66.13 -53.6 35.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.71 -48.59 80.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.529 ' HA ' HD21 ' A' ' 656' ' ' LEU . 3.7 t70 -50.95 -36.8 40.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.771 HG11 HG21 ' A' ' 764' ' ' THR . 78.3 t -69.29 -47.23 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.63 -52.87 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.529 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.29 -30.01 71.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 661' ' ' VAL . 1.5 mmtt -70.85 -36.96 73.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.666 HG22 ' HB1' ' A' ' 757' ' ' ALA . 0.4 OUTLIER -82.14 -44.48 16.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -57.94 -36.41 72.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 3.1 pt20 -71.78 -31.11 66.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 657' ' ' LYS . 68.5 t -63.39 -45.56 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.699 ' HA ' HD12 ' A' ' 665' ' ' ILE . 81.9 p -60.44 -37.02 79.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.5 -42.24 78.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 664' ' ' ASN . . . . . 0.44 ' ND2' ' HG3' ' A' ' 686' ' ' LYS . 3.2 m120 -62.81 -31.13 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 662' ' ' THR . 17.1 mt -72.56 -38.13 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -55.76 -34.79 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.54 -38.07 86.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.726 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.88 -38.31 73.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.532 HD21 ' CB ' ' A' ' 750' ' ' ALA . 22.7 mt -69.3 -49.18 58.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.79 -37.15 80.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.95 -30.51 68.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.417 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.89 -49.14 49.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -62.69 -37.03 84.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -81.78 -3.03 52.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 61.61 73.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -132.3 75.07 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -60.39 -29.83 69.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -71.44 -22.79 61.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.97 -6.39 54.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 680' ' ' PHE . . . . . 0.747 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -71.67 -37.58 70.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.565 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -54.78 -56.22 29.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.106 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.0 Cg_endo -69.76 -44.23 2.2 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.726 ' HB3' HD22 ' A' ' 668' ' ' LEU . 18.5 m -58.49 -38.89 78.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 3.2 t -74.63 -32.28 62.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.31 -47.38 50.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 686' ' ' LYS . . . . . 0.44 ' HG3' ' ND2' ' A' ' 664' ' ' ASN . 0.7 OUTLIER -58.2 -34.57 70.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.54 HD12 HD23 ' A' ' 668' ' ' LEU . 58.4 mt -68.32 -37.5 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -64.51 -36.8 85.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.3 mt -56.88 -50.38 72.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.611 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -58.97 -36.48 74.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.762 HG21 ' HB2' ' A' ' 718' ' ' ALA . 94.6 t -66.32 -51.36 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 96.5 m -66.54 -41.68 88.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.98 -41.64 88.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 694' ' ' MET . . . . . 0.466 ' HE2' HG13 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -65.25 -49.96 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -60.34 -36.31 77.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -36.21 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.433 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -65.69 -21.95 66.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.596 ' CE2' HD12 ' A' ' 648' ' ' LEU . 47.8 m-85 -86.58 150.88 52.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.653 0.739 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.79 36.97 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.627 2.218 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -9.75 57.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.51 90.06 6.64 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 154.36 67.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.721 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -112.61 15.21 20.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.446 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.3 OUTLIER -111.78 137.26 49.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.655 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 17.4 mt-10 -62.01 -51.77 72.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.667 0.746 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.5 Cg_endo -69.71 -28.41 25.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 18.4 t -67.12 -38.21 80.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -66.16 -45.33 81.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 2.3 t -75.11 -35.07 61.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 9.8 t -58.74 -36.0 73.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.29 -29.82 68.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -72.74 -48.42 38.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.3 pp -71.79 -40.59 69.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.724 ' HG ' HG13 ' A' ' 691' ' ' VAL . 4.6 tp -60.5 -51.26 70.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -65.16 -41.05 95.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.05 -33.79 76.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.068 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -48.18 81.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 718' ' ' ALA . . . . . 0.762 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -71.59 -30.16 65.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -38.49 71.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -72.04 -45.15 61.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -47.17 86.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -62.31 -43.61 98.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 10.0 t -66.32 -38.56 87.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -69.11 -49.5 56.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 725' ' ' CYS . . . . . 0.573 ' O ' HG23 ' A' ' 728' ' ' THR . 66.7 m -69.39 -27.61 65.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -53.6 -36.67 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -106.5 45.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 725' ' ' CYS . 1.4 p -66.88 -177.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.861 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.3 t -118.83 65.21 6.74 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.938 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.5 Cg_endo -69.77 -25.99 27.98 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.703 2.268 . . . . 0.0 112.374 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.938 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.6 Cg_endo -69.79 -165.37 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.67 2.247 . . . . 0.0 112.341 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.439 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.7 OUTLIER -50.31 156.36 1.47 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.885 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 54.1 Cg_endo -69.77 -15.83 37.22 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.352 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -91.02 7.08 81.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.533 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.624 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.1 161.87 0.67 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.624 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.9 Cg_endo -69.75 -38.0 8.4 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.688 2.258 . . . . 0.0 112.334 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.516 ' HB ' HG22 ' A' ' 729' ' ' VAL . 44.2 t -51.17 147.99 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.78 87.25 7.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -51.91 -40.02 60.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -55.12 -57.2 12.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 53.9 mt -61.96 -27.63 68.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -51.01 71.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 743' ' ' THR . . . . . 0.453 HG22 HD11 ' A' ' 747' ' ' ILE . 1.5 m -64.84 -36.4 84.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -69.69 -34.81 74.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -70.4 -45.14 66.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 746' ' ' VAL . . . . . 0.747 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.8 m -66.75 -38.71 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 747' ' ' ILE . . . . . 0.453 HD11 HG22 ' A' ' 743' ' ' THR . 53.6 mt -66.13 -50.08 71.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -62.56 -44.06 97.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 6.3 t -66.97 -48.31 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 750' ' ' ALA . . . . . 0.532 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -59.05 -44.04 91.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -67.67 -35.61 79.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -67.59 -48.58 66.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 753' ' ' ILE . . . . . 0.409 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.24 -34.64 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.57 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.71 -44.21 78.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -65.05 -31.75 73.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.85 -27.05 67.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 757' ' ' ALA . . . . . 0.666 ' HB1' HG22 ' A' ' 658' ' ' THR . . . -67.99 -29.61 68.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 758' ' ' LYS . . . . . 0.46 ' HA ' HG12 ' A' ' 761' ' ' VAL . 1.5 mmmm -67.28 -37.77 83.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -33.92 62.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 760' ' ' LEU . . . . . 0.648 ' O ' HG23 ' A' ' 764' ' ' THR . 0.3 OUTLIER -78.43 -36.16 45.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.46 HG12 ' HA ' ' A' ' 758' ' ' LYS . 9.6 p -74.3 -32.17 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.5 t -77.52 -34.82 53.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.78 -40.44 85.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.771 HG21 HG11 ' A' ' 654' ' ' VAL . 44.4 p -69.1 -41.47 77.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 95.2 m -65.98 -48.86 69.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.168 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -63.57 -32.97 74.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -55.28 152.14 8.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.94 62.26 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.75 109.99 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.851 0.357 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.02 159.56 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -87.06 132.62 11.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.97 156.35 0.12 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.702 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.3 Cg_endo -69.73 152.15 69.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.51 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.1 t70 -98.07 136.94 20.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.34 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -117.03 -143.8 7.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.871 HD13 HG21 ' A' ' 654' ' ' VAL . 0.6 OUTLIER -104.5 151.12 39.14 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.548 0.69 . . . . 0.0 110.935 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -51.62 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.662 2.241 . . . . 0.0 112.32 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.719 ' O ' HG23 ' A' ' 654' ' ' VAL . 5.6 m -124.15 121.39 34.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.8 m -64.56 -53.13 52.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 652' ' ' GLU . . . . . 0.448 ' OE2' HD23 ' A' ' 656' ' ' LEU . 0.2 OUTLIER -58.56 -48.12 81.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.539 ' HA ' HD21 ' A' ' 656' ' ' LEU . 4.8 t0 -51.79 -36.41 47.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.871 HG21 HD13 ' A' ' 648' ' ' LEU . 93.3 t -69.16 -47.08 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.61 -52.71 50.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.63 -30.02 71.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.745 ' O ' HG23 ' A' ' 661' ' ' VAL . 4.4 mmtp -70.79 -36.83 73.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.668 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.33 -44.39 16.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.82 -36.36 72.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 3.1 pt20 -71.93 -31.27 66.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 657' ' ' LYS . 67.2 t -62.79 -46.72 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.662 ' HA ' HD12 ' A' ' 665' ' ' ILE . 75.6 p -58.96 -37.53 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.47 -42.23 79.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -60.79 -35.22 75.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 662' ' ' THR . 14.1 mt -70.44 -40.5 77.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -33.88 65.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.67 -35.58 76.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.42 -40.1 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.09 -49.61 49.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -58.78 -36.61 74.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.95 -33.71 74.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.726 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.45 -49.34 42.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -59.91 -20.72 58.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -100.69 11.52 39.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 54.97 65.47 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -129.34 81.62 2.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -64.51 -37.81 88.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.55 -23.09 63.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 34.5 m -75.46 -14.36 60.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -72.16 -38.19 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.538 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -52.14 -57.09 16.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.2 Cg_endo -69.82 -43.11 2.8 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.721 ' HB3' HD22 ' A' ' 668' ' ' LEU . 10.4 m -58.1 -32.16 67.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 4.8 p -75.26 -32.48 61.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.11 -48.16 58.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -58.31 -37.5 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 691' ' ' VAL . 60.3 mt -67.2 -37.37 79.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -63.18 -37.17 86.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.95 -50.08 74.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.619 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.74 -36.48 83.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.767 HG13 ' HG ' ' A' ' 714' ' ' LEU . 87.6 t -68.24 -51.55 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 61.6 m -67.17 -43.16 82.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.03 -37.89 81.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -49.74 68.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -67.18 -36.53 81.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 1.9 m -55.59 -38.46 69.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.458 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.8 -20.53 65.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.548 ' CE1' HD22 ' A' ' 648' ' ' LEU . 69.2 m-85 -102.2 153.69 37.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.676 0.75 . . . . 0.0 110.87 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.22 66.65 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.367 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -15.3 59.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.6 84.46 45.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.639 0.733 . . . . 0.0 110.846 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 163.8 36.9 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.27 . . . . 0.0 112.322 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.702 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.72 20.05 17.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.436 HD13 ' CG2' ' A' ' 707' ' ' VAL . 0.6 OUTLIER -114.04 136.29 53.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.66 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 10.1 mt-10 -62.03 -51.54 74.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.731 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.3 Cg_endo -69.72 -28.68 25.13 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 707' ' ' VAL . . . . . 0.436 ' CG2' HD13 ' A' ' 704' ' ' LEU . 24.4 t -67.75 -35.36 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -65.41 -46.53 79.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.1 m -75.46 -40.54 57.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 710' ' ' SER . . . . . 0.697 ' OG ' HD23 ' A' ' 760' ' ' LEU . 24.4 t -59.3 -28.64 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.35 -27.69 59.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -72.93 -40.7 65.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.708 HD13 ' HB1' ' A' ' 756' ' ' ALA . 4.0 pp -75.91 -33.0 59.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.767 ' HG ' HG13 ' A' ' 691' ' ' VAL . 2.2 tp -67.21 -50.91 59.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -63.35 -44.71 94.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -66.71 -34.3 77.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 2.4 m -62.94 -47.51 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 718' ' ' ALA . . . . . 0.405 ' HB2' HG11 ' A' ' 691' ' ' VAL . . . -67.32 -30.76 70.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -76.65 -38.09 55.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -38.53 70.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -47.16 86.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -34.89 79.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -43.17 93.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -69.15 -49.02 60.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 725' ' ' CYS . . . . . 0.51 ' O ' HG23 ' A' ' 728' ' ' THR . 62.5 m -65.91 -27.9 68.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 20.0 tpp85 -57.99 -36.97 73.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 727' ' ' LYS . . . . . 0.489 ' O ' HD21 ' A' ' 742' ' ' LEU . 0.3 OUTLIER -98.39 69.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.548 HG22 HD12 ' A' ' 742' ' ' LEU . 12.0 p -110.69 -178.03 3.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.895 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 1.4 t -118.11 66.79 6.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 111.096 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.921 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.4 Cg_endo -69.77 -25.24 28.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.286 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.921 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.4 Cg_endo -69.7 -88.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.729 2.286 . . . . 0.0 112.335 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.422 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 1.2 pt-20 -137.22 155.2 75.99 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.611 0.719 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.7 Cg_endo -69.79 -15.3 36.91 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.67 2.247 . . . . 0.0 112.31 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -79.91 -6.32 89.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.527 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.597 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -57.36 160.8 6.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.597 0.713 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.597 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.7 Cg_endo -69.77 -8.77 24.46 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.316 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.476 ' HB ' HG22 ' A' ' 729' ' ' VAL . 30.0 t -74.88 149.03 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.98 87.37 6.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -51.99 -24.95 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -71.17 -53.45 14.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -27.68 69.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.548 HD12 HG22 ' A' ' 728' ' ' THR . 0.6 OUTLIER -58.89 -50.97 72.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 743' ' ' THR . . . . . 0.726 HG23 ' HB1' ' A' ' 672' ' ' ALA . 2.7 m -61.24 -36.79 80.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.6 -34.86 74.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.31 -45.29 66.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.6 m -66.63 -38.83 82.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 747' ' ' ILE . . . . . 0.469 HD11 HG22 ' A' ' 743' ' ' THR . 49.3 mt -64.16 -45.95 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -61.96 -46.22 90.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 77.5 m -65.2 -48.15 74.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.06 92.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -67.98 -35.51 78.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -67.49 -48.45 67.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 753' ' ' ILE . . . . . 0.525 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -65.81 -34.82 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.41 -39.01 85.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -68.58 -41.52 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 756' ' ' ALA . . . . . 0.708 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -61.76 -28.38 69.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.84 75.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 758' ' ' LYS . . . . . 0.406 ' HA ' HG12 ' A' ' 761' ' ' VAL . 4.9 mtpt -58.86 -38.19 78.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -73.01 -28.3 62.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 760' ' ' LEU . . . . . 0.697 HD23 ' OG ' ' A' ' 710' ' ' SER . 0.5 OUTLIER -78.64 -39.57 36.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.668 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.1 p -71.31 -37.01 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.3 t -69.79 -32.83 71.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.38 -38.72 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.697 HG21 HG11 ' A' ' 654' ' ' VAL . 16.1 p -67.38 -43.66 80.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.9 m -66.24 -49.13 68.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -22.55 62.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.52 174.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.01 25.95 5.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.08 61.34 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.832 0.349 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.15 162.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -111.97 129.33 9.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.9 160.52 0.12 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.601 0.715 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.649 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.8 Cg_endo -69.69 152.28 69.63 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.8 OUTLIER -97.78 137.11 20.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.871 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -49.19 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -105.21 -145.09 13.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.904 HD13 HG21 ' A' ' 654' ' ' VAL . 1.1 mt -118.74 154.62 52.81 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.633 0.73 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -51.78 0.36 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.672 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.3 m -124.18 120.41 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 5.0 m -66.23 -52.73 44.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.77 -48.4 79.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.1 m-20 -50.76 -36.13 35.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.904 HG21 HD13 ' A' ' 648' ' ' LEU . 98.8 t -69.52 -46.88 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.61 -52.81 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.6 pp -64.17 -30.34 71.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.737 ' O ' HG23 ' A' ' 661' ' ' VAL . 5.7 mmtp -70.86 -36.59 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -44.39 16.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -57.86 -36.37 72.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.73 -31.14 66.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 657' ' ' LYS . 69.5 t -63.25 -46.63 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.667 ' HA ' HD12 ' A' ' 665' ' ' ILE . 68.7 p -58.98 -37.27 76.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.3 -42.94 78.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -60.72 -35.11 75.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.2 mt -69.37 -37.89 76.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -59.18 -34.43 72.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.19 -37.91 84.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.03 -38.68 72.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.471 HD21 ' CE1' ' A' ' 751' ' ' TYR . 10.2 mp -68.52 -49.3 60.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -60.35 -37.31 80.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -71.08 -30.35 66.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.509 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.01 -49.07 49.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -63.32 -37.74 88.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -80.91 -2.98 49.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 61.38 74.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -132.12 72.37 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.0 -32.1 63.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -22.24 61.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 23.7 m -89.85 -7.13 55.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 680' ' ' PHE . . . . . 0.73 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.2 m-85 -72.23 -38.26 68.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.568 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -53.44 -56.36 25.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.9 Cg_endo -69.75 -44.37 2.12 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.72 ' HB3' HD22 ' A' ' 668' ' ' LEU . 16.9 m -58.48 -37.36 75.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 3.3 t -75.35 -32.44 60.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -73.17 -46.9 48.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -57.5 -34.84 69.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 691' ' ' VAL . 59.4 mt -67.51 -37.5 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -64.95 -37.43 87.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.3 mt -57.57 -47.68 81.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.617 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.63 -36.5 82.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.052 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.673 HG13 ' HG ' ' A' ' 714' ' ' LEU . 88.9 t -69.32 -51.38 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.15 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 87.9 m -66.46 -43.0 86.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.03 -38.99 80.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 694' ' ' MET . . . . . 0.525 ' HE1' HG13 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -65.22 -49.8 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.06 79.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 2.4 t -55.35 -35.87 65.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.449 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -66.44 -21.03 66.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.583 ' CE2' HD22 ' A' ' 648' ' ' LEU . 46.9 m-85 -87.84 158.36 50.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 166.22 28.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -30.12 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -148.02 119.34 4.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.67 0.748 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 166.37 27.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -122.24 26.47 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.405 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.7 OUTLIER -125.9 139.89 53.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.637 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 6.9 mt-10 -61.35 -52.76 68.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.703 0.763 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.76 -28.32 25.41 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 32.0 t -68.33 -37.77 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -44.89 87.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.06 -41.62 58.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.828 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 710' ' ' SER . . . . . 0.442 ' HA ' HD21 ' A' ' 713' ' ' LEU . 15.2 t -59.78 -38.69 82.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 5.9 tp -76.21 -28.57 57.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -72.75 -39.91 66.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.0 pp -75.97 -32.59 59.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.673 ' HG ' HG13 ' A' ' 691' ' ' VAL . 7.4 tp -63.2 -51.05 67.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -64.94 -40.99 95.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.94 76.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 1.7 p -69.33 -44.01 72.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 718' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -64.86 -38.4 90.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -36.65 76.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -71.96 -45.95 59.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -47.17 87.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.2 -41.26 99.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 26.0 m -66.21 -38.96 89.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.04 -49.35 58.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 725' ' ' CYS . . . . . 0.498 ' O ' HG23 ' A' ' 728' ' ' THR . 87.5 m -69.13 -28.06 66.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -36.95 63.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -102.16 48.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 725' ' ' CYS . 1.1 p -76.96 178.63 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.899 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 1.2 t -118.33 66.71 6.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.734 . . . . 0.0 111.157 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.942 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.7 Cg_endo -69.79 -25.16 28.74 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.942 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.5 Cg_endo -69.78 -88.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.336 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.8 OUTLIER -135.78 155.1 78.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.921 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.6 Cg_endo -69.74 -15.47 37.18 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -78.3 -11.64 85.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.601 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -52.43 161.58 1.05 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.543 0.687 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.601 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.6 Cg_endo -69.73 -8.5 23.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.484 ' HB ' HG22 ' A' ' 729' ' ' VAL . 96.6 t -85.01 120.53 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.37 97.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -64.08 -28.0 69.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -68.83 -51.71 37.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.88 -27.66 68.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -50.86 72.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 743' ' ' THR . . . . . 0.509 HG23 ' HB1' ' A' ' 672' ' ' ALA . 2.0 m -57.94 -37.76 74.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -69.59 -34.78 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -70.52 -45.1 66.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 746' ' ' VAL . . . . . 0.73 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.3 m -66.81 -38.65 81.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 747' ' ' ILE . . . . . 0.477 HD11 HG22 ' A' ' 743' ' ' THR . 52.9 mt -65.83 -48.67 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -62.17 -46.09 90.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 7.6 t -66.37 -46.64 76.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 750' ' ' ALA . . . . . 0.481 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -63.16 -41.93 99.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 751' ' ' TYR . . . . . 0.471 ' CE1' HD21 ' A' ' 669' ' ' LEU . 4.5 m-85 -67.22 -35.86 80.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -69.32 -48.32 61.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 753' ' ' ILE . . . . . 0.534 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.26 -34.71 71.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.45 -44.19 79.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -66.35 -36.05 81.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.01 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.35 -30.8 71.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 758' ' ' LYS . . . . . 0.411 ' HA ' HG12 ' A' ' 761' ' ' VAL . 17.1 mtpt -67.0 -39.71 87.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.07 -31.38 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 28.7 tp -78.86 -37.64 39.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 758' ' ' LYS . 7.2 p -73.19 -32.23 37.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.2 t -77.18 -35.27 56.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.42 -41.91 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.607 HG22 HD11 ' A' ' 648' ' ' LEU . 69.9 p -68.47 -41.91 79.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 97.5 m -66.13 -49.1 68.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -23.72 61.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.87 160.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.35 -32.22 13.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 6.2 tttp 57.84 77.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.851 0.358 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 59.99 175.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -107.01 160.81 14.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 63.18 160.06 0.12 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.668 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.0 Cg_endo -69.73 152.47 69.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 4.1 t70 -93.66 134.8 25.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.651 0.738 . . . . 0.0 110.828 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 646' ' ' PRO . . . . . 0.687 ' O ' HD13 ' A' ' 704' ' ' LEU . 53.9 Cg_endo -69.77 -49.37 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -108.79 -154.09 16.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.482 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.601 HD12 ' CE2' ' A' ' 698' ' ' PHE . 0.3 OUTLIER -100.1 152.52 37.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.623 0.725 . . . . 0.0 110.881 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -51.58 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 654' ' ' VAL . 0.6 OUTLIER -124.16 120.41 32.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.69 -53.47 40.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.49 -48.06 82.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.525 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.0 OUTLIER -51.7 -37.19 49.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.736 HG11 HG21 ' A' ' 764' ' ' THR . 84.2 t -68.83 -47.18 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.21 -52.46 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -65.16 -30.45 71.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.741 ' O ' HG23 ' A' ' 661' ' ' VAL . 5.1 mmtp -71.04 -36.9 72.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.657 HG21 ' HB ' ' A' ' 761' ' ' VAL . 1.0 OUTLIER -82.12 -44.37 16.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -57.97 -36.45 72.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -71.81 -30.83 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.799 HG22 ' HB1' ' A' ' 690' ' ' ALA . 69.2 t -64.27 -46.05 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.711 ' HA ' HD12 ' A' ' 665' ' ' ILE . 81.9 p -59.69 -35.87 75.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.2 -45.31 73.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -60.64 -31.99 71.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.2 mt -72.21 -39.63 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -34.66 68.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -61.63 -36.68 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.07 -38.76 72.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.81 -49.25 63.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -60.69 -37.41 81.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.71 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.49 -46.28 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -67.2 -25.48 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -92.32 12.06 23.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 52.38 61.33 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -127.25 70.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -58.73 -31.41 68.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -69.87 -28.61 65.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.08 -6.16 49.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 680' ' ' PHE . . . . . 0.43 ' CD2' HG11 ' A' ' 746' ' ' VAL . 14.4 m-30 -71.62 -35.22 70.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.551 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.89 -56.77 26.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.727 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.79 -44.22 2.18 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.262 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.715 ' HB3' HD22 ' A' ' 668' ' ' LEU . 27.6 m -60.46 -34.49 74.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 9.6 t -75.35 -32.36 60.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -70.24 -47.71 60.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.11 -36.73 73.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.497 HD12 HD23 ' A' ' 668' ' ' LEU . 56.4 mt -67.18 -37.57 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -63.84 -36.79 85.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -57.31 -50.26 73.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.799 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -59.69 -36.58 76.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.764 HG13 ' HG ' ' A' ' 714' ' ' LEU . 91.5 t -65.33 -51.78 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 43.1 m -67.31 -42.13 84.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.47 -44.39 97.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.16 -50.01 67.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.53 83.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 31.3 t -56.19 -36.6 68.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -63.53 -22.84 67.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.601 ' CE2' HD12 ' A' ' 648' ' ' LEU . 47.1 m-85 -85.89 149.24 50.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 153.5 68.73 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.739 2.292 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -17.42 55.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.19 88.73 25.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.699 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 162.55 41.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.668 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -119.51 14.71 12.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.077 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 646' ' ' PRO . 1.2 tp -112.98 139.06 48.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.651 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 4.7 mt-10 -61.62 -51.62 75.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.686 0.755 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.1 Cg_endo -69.71 -29.52 23.97 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.634 2.223 . . . . 0.0 112.359 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 707' ' ' VAL . . . . . 0.573 HG23 HD23 ' A' ' 704' ' ' LEU . 21.8 t -66.44 -38.77 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -66.02 -46.11 79.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 38.7 m -73.65 -35.73 65.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 48.5 t -58.94 -35.12 72.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -29.79 68.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -72.64 -48.29 40.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.3 pp -71.73 -40.45 69.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.764 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.2 tp -62.27 -51.14 68.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -63.97 -41.39 97.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.09 -33.8 76.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 5.8 m -61.84 -48.2 81.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 718' ' ' ALA . . . . . 0.639 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -65.81 -31.13 71.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -77.11 -34.52 56.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -71.4 -43.15 67.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -41.59 92.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.85 -36.78 70.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -37.59 85.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -68.18 -49.39 61.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 725' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 728' ' ' THR . 8.7 p -66.46 -26.86 67.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -66.15 -37.69 86.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 727' ' ' LYS . . . . . 0.611 ' O ' HD11 ' A' ' 742' ' ' LEU . 3.9 mtmt -108.81 75.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 725' ' ' CYS . 52.2 p -102.95 -176.79 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.895 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 13.7 p -144.62 54.23 2.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 0.0 111.179 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.941 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.1 Cg_endo -69.69 -25.19 29.16 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.941 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.5 Cg_endo -69.8 -91.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.439 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.7 OUTLIER -126.6 156.29 73.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.596 0.713 . . . . 0.0 110.917 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.5 Cg_endo -69.74 -14.48 36.2 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -70.17 -9.24 63.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.648 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -54.58 162.65 1.63 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 111.074 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.648 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.5 Cg_endo -69.8 -16.92 37.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.502 HG23 ' HB ' ' A' ' 729' ' ' VAL . 29.9 m -104.66 133.14 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.86 118.81 22.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 739' ' ' PHE . . . . . 0.435 ' HB3' HG11 ' A' ' 729' ' ' VAL . 22.1 p90 -51.47 -32.05 25.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -63.61 -43.67 96.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.684 HD12 HE21 ' A' ' 745' ' ' GLN . 0.3 OUTLIER -68.69 -28.94 67.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.611 HD11 ' O ' ' A' ' 727' ' ' LYS . 2.2 mm? -67.92 -50.3 56.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -37.21 73.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -69.55 -35.23 75.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 745' ' ' GLN . . . . . 0.684 HE21 HD12 ' A' ' 741' ' ' LEU . 35.3 mt-30 -70.02 -45.3 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 746' ' ' VAL . . . . . 0.43 HG11 ' CD2' ' A' ' 680' ' ' PHE . 21.2 m -66.57 -38.81 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.63 -50.02 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.85 -46.45 89.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 95.7 m -64.83 -43.6 92.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.88 93.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.67 -35.66 79.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.11 -48.41 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -34.47 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.527 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.5 -43.98 79.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -70.63 -36.84 73.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -61.06 -27.16 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.88 -37.54 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -58.81 -38.06 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -28.47 62.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 760' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 764' ' ' THR . 0.4 OUTLIER -78.57 -39.46 37.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.657 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.3 p -71.4 -36.91 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.4 t -70.04 -32.94 71.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.42 -39.3 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.736 HG21 HG11 ' A' ' 654' ' ' VAL . 19.2 p -69.08 -42.45 76.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 97.1 m -66.16 -49.09 68.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -24.99 62.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 165.16 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -69.87 -27.66 65.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -92.75 124.19 36.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 179.931 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 640' ' ' LEU . . . . . 0.409 HD13 ' HB3' ' A' ' 699' ' ' PRO . 4.1 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.791 0.329 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -115.39 -170.75 1.83 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 96.43 -120.82 6.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.2 160.11 40.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.689 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.6 Cg_endo -69.8 152.19 69.03 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.37 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.552 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 6.1 t70 -92.38 132.51 31.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 646' ' ' PRO . . . . . 0.596 ' O ' HD13 ' A' ' 704' ' ' LEU . 53.7 Cg_endo -69.75 -49.32 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -115.28 -151.96 10.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.819 HD13 HG21 ' A' ' 654' ' ' VAL . 0.3 OUTLIER -106.16 152.8 40.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.739 . . . . 0.0 110.898 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -51.51 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.702 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.0 m -124.04 120.75 33.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.11 -53.16 49.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -58.63 -48.1 82.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.488 ' HA ' HD21 ' A' ' 656' ' ' LEU . 22.4 m-20 -51.47 -35.95 42.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.819 HG21 HD13 ' A' ' 648' ' ' LEU . 95.9 t -70.23 -47.09 69.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.01 -53.38 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.488 HD21 ' HA ' ' A' ' 653' ' ' ASP . 4.5 pp -63.97 -29.09 70.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.736 ' O ' HG23 ' A' ' 661' ' ' VAL . 3.2 mmtt -70.77 -36.98 73.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.584 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.48 -44.56 15.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -57.64 -36.2 71.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 3.0 pt20 -71.61 -30.6 65.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 657' ' ' LYS . 76.6 t -63.17 -46.7 95.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.691 ' HA ' HD12 ' A' ' 665' ' ' ILE . 79.3 p -59.55 -37.21 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.29 -43.98 76.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -60.82 -31.99 71.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 662' ' ' THR . 17.3 mt -72.06 -37.99 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -34.53 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.22 -35.85 78.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.21 -38.11 72.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 669' ' ' LEU . 4.3 mm? -68.3 -49.23 61.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -60.6 -37.42 81.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.45 73.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.75 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.22 -49.14 46.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.97 -25.72 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -91.01 9.04 32.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 56.58 61.37 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -129.51 63.61 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -54.78 -31.59 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -69.41 -27.92 65.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -6.12 49.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 680' ' ' PHE . . . . . 0.762 ' CD2' HG11 ' A' ' 746' ' ' VAL . 14.3 m-30 -71.07 -34.79 71.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.551 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -56.4 -57.12 25.07 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.623 0.725 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.1 Cg_endo -69.78 -44.31 2.14 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.624 2.216 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.716 ' HB3' HD22 ' A' ' 668' ' ' LEU . 28.3 m -59.98 -33.3 71.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 684' ' ' SER . . . . . 0.405 ' HA ' HD12 ' A' ' 687' ' ' ILE . 58.5 m -75.71 -35.06 60.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -65.55 -48.31 72.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -35.77 71.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.455 ' O ' HG23 ' A' ' 691' ' ' VAL . 53.3 mt -68.62 -37.05 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 688' ' ' HIS . . . . . 0.447 ' CD2' ' HB1' ' A' ' 718' ' ' ALA . 20.2 m170 -64.36 -36.2 83.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.0 -49.97 74.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.709 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.46 -36.07 81.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.712 HG13 ' HG ' ' A' ' 714' ' ' LEU . 99.2 t -68.92 -51.61 42.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 58.8 m -66.99 -42.03 85.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.71 -37.84 83.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 2.6 ttp -65.2 -50.2 66.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -67.48 -36.98 82.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 44.0 t -55.94 -37.42 68.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.492 HD11 ' CE1' ' A' ' 698' ' ' PHE . 0.5 OUTLIER -62.61 -20.78 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.571 ' CZ ' HD22 ' A' ' 648' ' ' LEU . 65.5 m-85 -102.77 154.49 37.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.655 0.74 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 699' ' ' PRO . . . . . 0.409 ' HB3' HD13 ' A' ' 640' ' ' LEU . 53.5 Cg_endo -69.78 157.23 61.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -14.14 51.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -126.75 88.92 53.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 160.25 50.4 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.689 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -113.41 1.28 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 646' ' ' PRO . 1.1 tp -99.67 137.99 37.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.662 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.5 mt-10 -61.82 -51.07 78.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.674 0.749 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.81 -29.59 23.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 707' ' ' VAL . . . . . 0.575 HG23 HD23 ' A' ' 704' ' ' LEU . 19.9 t -66.26 -36.24 76.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -65.82 -46.17 79.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 63.3 m -74.49 -40.37 61.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 79.7 p -59.31 -33.37 71.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -29.17 68.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 6.3 mtp85 -72.64 -48.38 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.0 pp -72.67 -42.22 64.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.712 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.1 tp -55.88 -51.44 67.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -65.38 -38.11 89.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.74 -33.3 75.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.31 -40.03 92.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.818 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 718' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 688' ' ' HIS . . . -73.02 -42.07 63.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.97 -46.13 82.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -59.9 -46.16 90.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -37.46 79.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -44.1 76.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 33.9 t -66.25 -37.96 86.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -67.51 -49.29 64.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 725' ' ' CYS . . . . . 0.536 ' O ' HG23 ' A' ' 728' ' ' THR . 10.9 p -69.13 -26.82 65.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -48.75 73.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 727' ' ' LYS . . . . . 0.607 ' O ' HD21 ' A' ' 742' ' ' LEU . 0.0 OUTLIER -97.3 76.05 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 725' ' ' CYS . 53.1 p -107.14 -175.59 2.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.86 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.7 t -119.28 65.0 7.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.926 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.2 Cg_endo -69.71 -26.07 28.17 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.647 2.232 . . . . 0.0 112.374 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.926 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.7 Cg_endo -69.68 -165.17 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.454 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.6 OUTLIER -49.95 156.34 1.32 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.581 0.705 . . . . 0.0 110.91 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.9 Cg_endo -69.77 -14.8 36.57 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.641 2.227 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -93.2 8.0 75.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.625 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.09 161.59 0.7 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.569 0.7 . . . . 0.0 111.088 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.625 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.2 Cg_endo -69.72 -38.63 7.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.573 ' HB ' HG22 ' A' ' 729' ' ' VAL . 52.9 t -50.94 146.92 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.43 93.02 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -51.93 -38.18 55.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -54.83 -41.53 70.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.21 -34.31 63.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.607 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.3 OUTLIER -58.95 -51.17 71.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 743' ' ' THR . . . . . 0.75 HG23 ' HB1' ' A' ' 672' ' ' ALA . 0.7 OUTLIER -62.64 -36.48 82.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -34.99 75.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -70.21 -45.49 66.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 746' ' ' VAL . . . . . 0.762 HG11 ' CD2' ' A' ' 680' ' ' PHE . 21.9 m -66.49 -38.84 82.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.0 mt -65.0 -49.75 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -58.6 -46.42 87.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 83.9 m -63.7 -47.98 78.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 750' ' ' ALA . . . . . 0.617 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -61.79 -41.87 98.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -67.32 -35.67 79.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -68.83 -48.23 64.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 753' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -65.74 -34.61 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.41 -44.18 79.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -41.73 94.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 756' ' ' ALA . . . . . 0.457 ' HB1' ' CD1' ' A' ' 713' ' ' LEU . . . -60.98 -27.07 68.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -69.06 -38.2 78.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 758' ' ' LYS . . . . . 0.402 ' HA ' HG12 ' A' ' 761' ' ' VAL . 2.9 mtpp -58.96 -37.99 78.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -72.9 -28.37 62.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 760' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 764' ' ' THR . 0.2 OUTLIER -78.53 -39.62 37.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.584 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.1 p -71.28 -37.01 64.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.2 t -69.82 -32.65 71.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.1 mm -66.39 -38.84 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.777 HG21 HG11 ' A' ' 654' ' ' VAL . 18.4 p -67.89 -43.37 79.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.2 m -66.21 -49.04 68.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -23.39 62.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.01 164.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -110.24 -31.8 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp 61.08 96.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -170.67 -177.53 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -106.97 164.9 13.19 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.442 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.02 156.22 0.12 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.717 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.1 Cg_endo -69.74 152.01 69.32 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.372 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.563 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 6.2 t0 -88.61 127.83 54.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.2 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -131.35 51.88 0.84 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.545 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.718 HD11 HG22 ' A' ' 764' ' ' THR . 0.5 OUTLIER 64.33 152.53 0.12 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.728 . . . . 0.0 110.894 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 -51.79 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.712 ' O ' HG23 ' A' ' 654' ' ' VAL . 5.3 m -124.07 120.96 33.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.29 -53.13 48.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -58.29 -48.2 81.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.528 ' HA ' HD21 ' A' ' 656' ' ' LEU . 3.8 t0 -51.58 -36.42 45.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 1.041 HG11 HG21 ' A' ' 764' ' ' THR . 95.7 t -69.32 -46.78 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.47 -52.75 48.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.7 pp -64.17 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.748 ' O ' HG23 ' A' ' 661' ' ' VAL . 3.0 mmtp -71.0 -36.04 72.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.506 HG21 ' HB ' ' A' ' 761' ' ' VAL . 1.0 OUTLIER -81.75 -44.27 17.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -57.74 -36.72 72.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -71.76 -30.82 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 657' ' ' LYS . 66.3 t -63.89 -46.24 94.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.706 ' HA ' HD12 ' A' ' 665' ' ' ILE . 82.0 p -59.42 -36.5 76.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.42 -44.11 75.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -60.87 -31.69 71.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.706 HD12 ' HA ' ' A' ' 662' ' ' THR . 18.1 mt -71.87 -37.75 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -33.2 67.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.0 -37.6 80.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.64 -38.55 73.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 669' ' ' LEU . 4.1 mm? -67.43 -48.98 65.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -61.61 -37.43 83.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.05 -33.47 75.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.98 -49.08 49.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -62.55 -32.85 73.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -88.06 -2.91 58.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 62.02 76.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -134.42 69.31 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -56.04 -30.72 62.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.49 -22.71 61.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 679' ' ' SER . . . . . 0.414 ' C ' ' HD2' ' A' ' 682' ' ' PRO . 3.4 t -92.3 -4.77 53.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 680' ' ' PHE . . . . . 0.741 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -71.57 -30.93 66.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.576 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.4 t -62.57 -55.54 38.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.77 -41.4 4.3 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.738 ' HB3' HD22 ' A' ' 668' ' ' LEU . 12.9 m -58.5 -41.32 85.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 684' ' ' SER . . . . . 0.477 ' HA ' HD12 ' A' ' 687' ' ' ILE . 1.5 t -74.86 -32.38 61.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -69.91 -47.66 61.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -58.21 -33.42 69.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 684' ' ' SER . 53.8 mt -68.46 -37.66 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -65.43 -36.95 85.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.802 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.84 -46.1 81.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.544 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.35 -36.59 84.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.623 HG13 ' HG ' ' A' ' 714' ' ' LEU . 90.6 t -68.62 -51.34 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 37.3 m -67.05 -43.89 81.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.14 -39.89 83.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -50.85 64.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -57.59 -36.59 71.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.02 -31.08 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -27.57 65.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.654 ' CE2' HD23 ' A' ' 648' ' ' LEU . 46.2 m-85 -74.06 154.78 88.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.688 0.756 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 178.13 4.83 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.74 2.294 . . . . 0.0 112.341 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -13.26 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -161.23 117.05 1.34 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 157.5 60.29 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.717 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -110.82 0.09 17.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.72 138.6 36.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.653 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.3 mt-10 -62.43 -51.68 71.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.661 0.743 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.1 Cg_endo -69.77 -28.51 25.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.7 -34.55 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -65.47 -46.91 77.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 21.3 m -75.93 -38.62 57.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 710' ' ' SER . . . . . 0.72 ' OG ' HD23 ' A' ' 760' ' ' LEU . 33.1 t -59.11 -30.09 67.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.02 -30.26 63.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -72.34 -48.29 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.3 pp -70.79 -40.21 72.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.623 ' HG ' HG13 ' A' ' 691' ' ' VAL . 4.6 tp -56.06 -51.06 69.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -41.25 94.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.28 -33.78 76.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -48.07 82.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 718' ' ' ALA . . . . . 0.586 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -67.64 -29.95 69.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -72.11 -46.01 58.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -45.54 94.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -39.29 85.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -47.1 80.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -39.0 89.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -69.15 -49.12 59.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 725' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 728' ' ' THR . 7.4 m -69.07 -27.93 66.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -59.09 -36.79 75.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -99.73 70.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 725' ' ' CYS . 3.8 p -101.08 -179.48 4.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.887 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 0.0 OUTLIER -118.99 65.76 7.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.645 0.736 . . . . 0.0 111.149 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.944 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.2 Cg_endo -69.76 -25.39 28.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.944 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.4 Cg_endo -69.78 -52.61 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.235 . . . . 0.0 112.309 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -176.67 154.08 1.21 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.675 0.75 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -22.34 32.31 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.371 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -70.56 -17.42 74.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.653 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -50.21 162.42 0.51 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.566 0.698 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.653 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.3 Cg_endo -69.77 -8.18 22.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.55 150.13 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.07 81.55 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -55.18 -39.71 69.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.07 -49.64 42.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 2.9 tp -61.85 -27.63 68.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.65 -39.8 81.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 743' ' ' THR . . . . . 0.409 HG23 ' HB1' ' A' ' 672' ' ' ALA . 0.7 OUTLIER -72.91 -35.93 67.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -70.01 -34.53 73.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -70.88 -45.28 64.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 746' ' ' VAL . . . . . 0.741 HG11 ' CE2' ' A' ' 680' ' ' PHE . 23.6 m -65.9 -39.04 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 56.0 mt -66.15 -50.5 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -62.88 -44.23 96.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 59.5 m -66.38 -48.44 70.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 750' ' ' ALA . . . . . 0.405 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -58.87 -47.0 86.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -68.15 -35.07 77.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.77 -49.55 72.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -34.89 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.59 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.52 -44.15 79.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -65.72 -39.94 91.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.92 67.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.23 -33.03 71.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -58.7 -38.52 78.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.92 -28.42 62.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 760' ' ' LEU . . . . . 0.72 HD23 ' OG ' ' A' ' 710' ' ' SER . 0.5 OUTLIER -78.65 -39.77 36.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.506 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.4 p -71.07 -36.68 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.7 t -70.48 -33.54 71.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.6 mm -66.79 -38.75 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 764' ' ' THR . . . . . 1.041 HG21 HG11 ' A' ' 654' ' ' VAL . 20.7 p -68.96 -41.11 78.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 91.4 m -65.85 -49.14 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -63.35 -34.18 77.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -52.15 166.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 43.08 2.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -124.01 74.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.934 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.784 0.326 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -108.57 -60.11 1.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 157.83 -124.96 1.47 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.53 160.49 18.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.644 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.8 Cg_endo -69.71 152.39 69.54 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.371 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.9 OUTLIER -98.3 137.59 20.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.578 0.704 . . . . 0.0 110.867 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -110.59 -144.49 10.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.675 HD22 HG21 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -112.3 152.51 44.54 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.71 . . . . 0.0 110.935 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.58 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.709 2.272 . . . . 0.0 112.351 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.653 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.6 m -123.66 120.5 32.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.61 -53.24 44.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.88 -47.92 81.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.537 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.5 t70 -51.5 -37.2 48.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.728 HG11 HG21 ' A' ' 764' ' ' THR . 92.4 t -69.12 -47.11 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.79 -52.53 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.537 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.6 pp -64.79 -30.37 71.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.734 ' O ' HG23 ' A' ' 661' ' ' VAL . 6.3 mmtm -71.06 -36.73 72.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.552 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.6 OUTLIER -82.16 -44.37 16.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.75 -36.45 72.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -71.79 -30.97 66.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 657' ' ' LYS . 69.2 t -63.94 -44.71 98.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.684 ' HA ' HD12 ' A' ' 665' ' ' ILE . 66.4 p -61.28 -36.99 81.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.38 -43.72 76.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -60.64 -34.28 74.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 662' ' ' THR . 16.3 mt -69.41 -40.4 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -56.62 -34.67 67.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -61.32 -36.21 79.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.704 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.24 -38.02 71.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.465 HD21 ' HB3' ' A' ' 750' ' ' ALA . 22.2 mt -69.44 -49.26 56.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.38 -37.27 80.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.49 -31.26 72.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.781 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.57 -49.34 41.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -63.78 -20.21 65.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -94.47 7.23 46.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 58.47 55.47 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -123.71 81.11 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -64.69 -38.06 89.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -69.24 -25.28 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 20.1 m -70.98 -13.5 62.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 680' ' ' PHE . . . . . 0.546 ' CD2' HG11 ' A' ' 746' ' ' VAL . 18.8 m-30 -71.55 -35.67 70.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.545 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -54.73 -57.41 19.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.612 0.72 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.0 Cg_endo -69.75 -44.45 2.08 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.704 ' HB3' HD22 ' A' ' 668' ' ' LEU . 24.5 m -60.05 -33.35 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 684' ' ' SER . . . . . 0.403 ' OG ' HD22 ' A' ' 721' ' ' LEU . 7.9 m -74.79 -32.72 62.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.91 -46.99 64.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -58.2 -34.82 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 691' ' ' VAL . 51.0 mt -69.18 -37.84 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 688' ' ' HIS . . . . . 0.412 ' ND1' ' HB1' ' A' ' 718' ' ' ALA . 7.2 m-70 -63.35 -36.1 82.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.2 mt -56.45 -49.1 75.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.675 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.18 -36.72 84.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.742 HG13 ' HG ' ' A' ' 714' ' ' LEU . 99.7 t -67.68 -51.65 48.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 68.0 m -67.3 -44.34 79.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.65 -38.33 81.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -50.0 67.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.7 75.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 37.4 t -55.8 -37.52 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.78 -20.84 65.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.631 ' CE1' HD23 ' A' ' 648' ' ' LEU . 89.2 m-85 -89.5 155.83 48.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.711 0.767 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.71 26.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -29.88 14.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -147.59 121.82 5.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 165.2 31.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.639 2.226 . . . . 0.0 112.351 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.644 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -120.32 25.05 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.432 HD13 HG23 ' A' ' 707' ' ' VAL . 0.6 OUTLIER -127.58 141.81 51.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.622 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.1 mp0 -61.86 -53.17 62.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.656 0.741 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.81 -34.48 14.33 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.223 . . . . 0.0 112.328 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 707' ' ' VAL . . . . . 0.432 HG23 HD13 ' A' ' 704' ' ' LEU . 24.7 t -59.23 -36.81 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -65.09 -46.2 82.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -42.09 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 710' ' ' SER . . . . . 0.444 ' HA ' HD21 ' A' ' 713' ' ' LEU . 1.2 t -59.64 -38.38 81.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.825 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 5.0 tp -76.02 -29.09 58.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -72.71 -40.03 66.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.675 HD13 ' HB1' ' A' ' 756' ' ' ALA . 4.1 pp -76.01 -32.84 59.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.742 ' HG ' HG13 ' A' ' 691' ' ' VAL . 10.5 tp -59.34 -51.21 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -65.23 -38.96 92.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.2 -33.75 76.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -37.56 84.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 718' ' ' ALA . . . . . 0.412 ' HB1' ' ND1' ' A' ' 688' ' ' HIS . . . -72.68 -37.82 67.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.094 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -64.96 -46.0 83.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -63.67 -46.16 86.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 721' ' ' LEU . . . . . 0.403 HD22 ' OG ' ' A' ' 684' ' ' SER . 0.3 OUTLIER -59.85 -38.42 82.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -39.98 73.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 28.6 t -66.14 -37.84 86.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -66.94 -49.43 65.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 725' ' ' CYS . . . . . 0.561 ' O ' HG23 ' A' ' 728' ' ' THR . 11.5 p -69.18 -26.79 65.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -48.81 74.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 727' ' ' LYS . . . . . 0.529 ' O ' HD21 ' A' ' 742' ' ' LEU . 0.0 OUTLIER -98.69 76.19 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 725' ' ' CYS . 52.2 p -105.38 -176.0 2.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.868 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.8 t -119.54 65.01 8.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.924 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.0 Cg_endo -69.85 -25.96 27.66 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.361 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.924 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.5 Cg_endo -69.8 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.34 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.455 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.6 OUTLIER -49.68 156.42 1.2 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.652 0.739 . . . . 0.0 110.896 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 54.1 Cg_endo -69.72 -14.62 36.46 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -94.31 8.89 72.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.612 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.06 161.52 0.7 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.608 0.718 . . . . 0.0 111.065 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.612 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.7 Cg_endo -69.79 -37.66 8.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.349 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.59 ' HB ' HG22 ' A' ' 729' ' ' VAL . 56.4 t -51.09 146.46 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.48 88.64 7.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -51.83 -30.07 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -65.25 -43.08 92.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.01 -35.53 64.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.529 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.4 OUTLIER -59.03 -50.86 72.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 743' ' ' THR . . . . . 0.781 HG23 ' HB1' ' A' ' 672' ' ' ALA . 4.6 m -59.68 -34.23 72.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -69.36 -35.32 75.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -69.57 -45.15 69.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 746' ' ' VAL . . . . . 0.546 HG11 ' CD2' ' A' ' 680' ' ' PHE . 22.0 m -67.47 -38.74 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 747' ' ' ILE . . . . . 0.587 HD11 HG22 ' A' ' 743' ' ' THR . 58.5 mt -67.19 -50.07 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -60.23 -46.18 90.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 2.9 t -62.18 -48.18 81.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 750' ' ' ALA . . . . . 0.637 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -61.6 -41.79 97.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -67.63 -35.68 79.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -68.74 -48.08 64.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -34.48 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.492 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.24 -43.86 80.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -73.47 -34.26 65.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 756' ' ' ALA . . . . . 0.675 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -63.01 -26.97 69.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -73.82 -26.13 60.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 758' ' ' LYS . . . . . 0.405 ' HA ' HG12 ' A' ' 761' ' ' VAL . 0.3 OUTLIER -58.86 -37.95 77.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.88 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -72.93 -28.25 62.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 760' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 760' ' ' LEU . 2.1 tt -78.69 -39.53 36.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.552 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.1 p -71.41 -36.84 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.2 t -69.86 -32.35 70.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.1 mm -66.17 -38.98 83.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.728 HG21 HG11 ' A' ' 654' ' ' VAL . 28.9 p -68.58 -42.77 77.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.9 m -66.23 -48.89 69.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -24.32 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -52.29 168.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.57 51.07 1.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -170.48 99.76 0.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -140.49 -71.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -177.51 -150.58 8.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.02 160.62 1.13 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.731 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.706 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.6 Cg_endo -69.78 152.14 69.15 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.236 . . . . 0.0 112.31 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 3.8 t70 -96.59 136.34 21.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 110.895 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -49.2 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.372 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 647' ' ' GLY . . . . . 0.445 ' C ' HD13 ' A' ' 648' ' ' LEU . . . -111.76 -146.15 10.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.592 HD12 ' CE2' ' A' ' 698' ' ' PHE . 0.3 OUTLIER -104.94 152.38 39.59 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.293 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.704 ' O ' HG23 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -124.04 120.56 32.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.82 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.8 m -65.71 -53.26 43.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -58.7 -48.25 81.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.52 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.0 OUTLIER -51.52 -36.45 44.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.775 HG11 HG21 ' A' ' 764' ' ' THR . 81.4 t -69.03 -47.0 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.61 -52.88 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.46 -30.75 71.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.745 ' O ' HG23 ' A' ' 661' ' ' VAL . 1.9 mmtp -70.39 -37.01 74.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.528 HG21 ' HB ' ' A' ' 761' ' ' VAL . 1.0 OUTLIER -81.83 -44.07 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.118 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.78 -36.93 72.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -71.73 -30.69 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.783 HG22 ' HB1' ' A' ' 690' ' ' ALA . 66.2 t -63.88 -46.93 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.711 ' HA ' HD12 ' A' ' 665' ' ' ILE . 81.4 p -58.87 -36.06 74.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.23 -44.53 75.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -60.59 -36.74 79.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 662' ' ' THR . 12.0 mt -66.46 -40.2 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -55.96 -34.19 65.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.49 -39.26 90.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.723 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.75 -39.13 73.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.538 HD21 ' CB ' ' A' ' 750' ' ' ALA . 23.8 mt -69.9 -49.15 54.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -61.19 -37.09 81.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.06 65.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.574 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.99 -49.08 49.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -67.91 -27.75 66.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -89.23 8.98 27.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 51.61 69.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -128.34 76.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -61.09 -35.63 77.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -71.27 -22.29 61.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 68.2 m -85.5 -9.85 56.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 680' ' ' PHE . . . . . 0.729 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.4 m-30 -71.71 -30.88 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.568 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -61.83 -56.17 34.74 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.644 0.735 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.9 Cg_endo -69.74 -41.47 4.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.723 ' HB3' HD22 ' A' ' 668' ' ' LEU . 12.8 m -58.43 -35.28 71.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.78 -32.63 59.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.32 -47.64 60.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -57.91 -37.21 73.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.463 HD11 ' HB2' ' A' ' 668' ' ' LEU . 58.8 mt -67.17 -37.47 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -63.67 -36.68 84.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.03 -48.13 79.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.783 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.98 -36.61 84.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.747 HG13 ' HG ' ' A' ' 714' ' ' LEU . 89.1 t -67.35 -51.87 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 87.8 m -67.37 -43.85 80.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.41 -44.27 95.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -49.93 68.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.39 80.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 1.6 t -55.88 -36.77 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -64.12 -22.86 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.592 ' CE2' HD12 ' A' ' 648' ' ' LEU . 47.1 m-85 -85.56 149.17 50.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 154.52 67.75 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.658 2.238 . . . . 0.0 112.318 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -17.11 55.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.52 88.47 12.55 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.696 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 156.46 63.33 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.682 2.255 . . . . 0.0 112.394 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.706 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.6 21.63 15.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.03 136.43 53.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.661 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 8.1 mt-10 -61.99 -51.41 75.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.682 0.754 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.7 Cg_endo -69.81 -27.88 25.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.635 2.224 . . . . 0.0 112.342 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 18.4 t -67.97 -38.22 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -66.05 -44.08 85.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -40.58 59.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 710' ' ' SER . . . . . 0.409 ' HA ' HD21 ' A' ' 713' ' ' LEU . 97.6 p -59.22 -31.54 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -27.8 58.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -73.07 -40.39 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.0 pp -75.83 -32.64 59.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.747 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.2 tp -66.4 -51.33 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -62.96 -44.13 96.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.81 76.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -48.0 82.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 718' ' ' ALA . . . . . 0.431 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -66.94 -29.86 69.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -73.12 -36.84 66.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -72.04 -45.43 60.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.15 -39.19 85.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.01 -47.15 78.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 3.1 m -66.59 -37.79 85.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -69.01 -49.53 56.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 725' ' ' CYS . . . . . 0.671 ' O ' HG23 ' A' ' 728' ' ' THR . 20.0 m -69.1 -32.26 71.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -53.86 -36.86 63.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 727' ' ' LYS . . . . . 0.53 ' O ' HD21 ' A' ' 742' ' ' LEU . 1.6 mtmt -100.39 69.9 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 725' ' ' CYS . 2.7 p -94.89 -177.85 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.857 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.3 t -119.4 64.92 8.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.929 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.9 Cg_endo -69.81 -26.05 27.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.35 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.929 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.6 Cg_endo -69.74 -164.91 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.452 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 20.8 pt-20 -49.34 155.89 1.17 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.634 0.731 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.8 Cg_endo -69.79 -17.87 37.19 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.717 2.278 . . . . 0.0 112.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -90.56 8.98 78.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.618 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.62 161.62 0.83 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.563 0.697 . . . . 0.0 111.075 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.618 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.6 Cg_endo -69.75 -37.33 9.34 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.517 ' HB ' HG22 ' A' ' 729' ' ' VAL . 44.4 t -50.95 148.0 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.71 84.39 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -52.01 -24.83 7.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -68.42 -43.83 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.89 -27.97 61.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.53 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.1 OUTLIER -59.08 -50.97 72.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 743' ' ' THR . . . . . 0.574 HG23 ' HB1' ' A' ' 672' ' ' ALA . 0.4 OUTLIER -59.41 -37.59 78.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -69.05 -34.85 75.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -70.14 -45.03 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 746' ' ' VAL . . . . . 0.729 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.7 m -67.72 -38.92 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 45.9 mt -63.57 -47.77 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -62.11 -44.58 96.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 95.4 m -66.58 -47.59 72.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 750' ' ' ALA . . . . . 0.585 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -63.34 -42.39 98.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.55 -35.97 80.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.1 -48.2 58.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -34.73 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.485 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -68.22 -44.68 75.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -74.41 -34.33 63.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 756' ' ' ALA . . . . . 0.473 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -60.87 -27.58 68.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.05 63.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -58.71 -38.43 78.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.97 -28.5 62.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 760' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 764' ' ' THR . 0.5 OUTLIER -78.65 -39.6 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.528 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.5 p -71.28 -36.74 62.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.7 t -70.31 -33.5 71.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.66 -39.86 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.775 HG21 HG11 ' A' ' 654' ' ' VAL . 21.3 p -69.06 -40.75 78.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 94.5 m -65.73 -46.19 79.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -68.57 -20.88 64.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.52 -32.23 69.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 64.91 40.83 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -90.65 47.07 1.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.858 0.361 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -155.83 -74.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 141.16 113.15 0.99 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.12 160.55 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.626 0.726 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.677 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.6 Cg_endo -69.8 152.31 69.05 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.373 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.9 OUTLIER -97.37 137.2 21.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 646' ' ' PRO . . . . . 0.541 ' O ' HD13 ' A' ' 704' ' ' LEU . 53.4 Cg_endo -69.87 -49.13 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 647' ' ' GLY . . . . . 0.516 ' C ' HD23 ' A' ' 648' ' ' LEU . . . -105.12 -133.96 7.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.897 HD13 HG21 ' A' ' 654' ' ' VAL . 0.8 OUTLIER -129.45 155.35 80.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 0.0 110.918 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -51.66 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.643 ' O ' HG23 ' A' ' 654' ' ' VAL . 1.8 m -123.93 119.99 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 651' ' ' THR . . . . . 0.4 HG23 ' NZ ' ' A' ' 769' ' ' LYS . 5.1 m -66.42 -53.24 37.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.64 -48.3 79.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.571 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.2 m-20 -50.9 -37.04 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.897 HG21 HD13 ' A' ' 648' ' ' LEU . 90.9 t -69.77 -46.72 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.7 -52.95 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.6 pp -63.41 -30.69 71.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.745 ' O ' HG23 ' A' ' 661' ' ' VAL . 7.8 mmtp -70.32 -36.31 74.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -44.17 16.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -57.78 -36.63 72.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -71.65 -30.65 65.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 657' ' ' LYS . 73.6 t -63.34 -45.43 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.687 ' HA ' HD12 ' A' ' 665' ' ' ILE . 77.8 p -60.91 -37.59 82.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.22 -43.61 77.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -60.8 -34.34 74.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 662' ' ' THR . 16.2 mt -68.85 -37.82 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.18 -34.07 74.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -60.95 -37.59 82.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.79 -37.87 73.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 669' ' ' LEU . 4.2 mm? -66.66 -49.03 67.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -61.17 -37.57 83.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.76 -33.32 75.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.672 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.42 -49.03 53.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.051 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -65.04 -25.27 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -97.09 8.35 44.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 51.45 74.47 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -130.8 66.8 1.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -55.6 -33.11 63.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.33 -22.41 61.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 61.3 m -90.3 -6.21 55.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 680' ' ' PHE . . . . . 0.721 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -71.97 -31.0 65.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.564 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -61.27 -56.3 35.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.595 0.712 . . . . 0.0 111.095 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.77 -44.32 2.14 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.725 ' HB3' HD22 ' A' ' 668' ' ' LEU . 28.6 m -58.52 -39.76 81.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 684' ' ' SER . . . . . 0.493 ' HA ' HD12 ' A' ' 687' ' ' ILE . 12.7 t -74.76 -32.27 62.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -71.17 -47.07 59.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -57.7 -33.28 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 684' ' ' SER . 50.0 mt -68.21 -37.46 78.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -65.79 -37.17 85.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.04 -46.16 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.678 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.85 -36.45 83.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.651 HG13 ' HG ' ' A' ' 714' ' ' LEU . 84.3 t -69.51 -51.36 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 87.0 m -66.37 -42.7 87.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.89 -39.21 80.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 694' ' ' MET . . . . . 0.761 ' HE2' HG13 ' A' ' 654' ' ' VAL . 1.3 ttm -65.23 -49.77 68.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.02 -36.11 80.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 8.1 t -55.55 -35.92 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -65.93 -21.1 66.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.628 ' CZ ' HD22 ' A' ' 648' ' ' LEU . 45.7 m-85 -87.27 158.72 51.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.689 0.757 . . . . 0.0 110.86 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 168.6 21.17 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.623 2.215 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -26.14 8.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -151.71 121.37 3.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 165.96 29.19 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.266 . . . . 0.0 112.371 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.677 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -120.97 23.67 10.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.571 HD23 HG23 ' A' ' 707' ' ' VAL . 1.2 tp -122.27 139.02 54.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.652 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 2.4 mm-40 -61.32 -51.75 75.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.74 -29.67 23.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.31 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 707' ' ' VAL . . . . . 0.571 HG23 HD23 ' A' ' 704' ' ' LEU . 25.3 t -67.19 -38.01 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -45.98 82.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.1 m -73.52 -41.53 62.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 710' ' ' SER . . . . . 0.438 ' HB2' HD13 ' A' ' 760' ' ' LEU . 84.9 p -59.48 -29.04 67.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.1 tp -75.75 -27.74 58.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -72.88 -40.57 65.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.668 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.0 pp -75.93 -32.86 59.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.668 ' N ' HD12 ' A' ' 713' ' ' LEU . 6.4 tp -67.23 -51.26 55.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -63.92 -45.79 87.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.98 -33.81 76.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -48.04 82.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 718' ' ' ALA . . . . . 0.463 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -72.87 -34.42 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -66.68 -38.48 86.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -44.67 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -44.55 97.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -64.46 -44.77 90.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.972 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 12.9 m -66.23 -41.28 90.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -68.99 -49.24 59.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 725' ' ' CYS . . . . . 0.494 ' O ' HG23 ' A' ' 728' ' ' THR . 17.0 m -68.25 -27.32 66.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -53.62 -36.8 62.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -99.21 34.91 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.722 ' HA ' HD21 ' A' ' 742' ' ' LEU . 0.7 OUTLIER -57.21 -178.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.86 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.2 t -118.89 65.21 6.85 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 111.13 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.94 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.2 Cg_endo -69.72 -26.03 28.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.94 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.4 Cg_endo -69.78 -165.38 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.63 2.22 . . . . 0.0 112.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.441 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.9 OUTLIER -50.21 156.37 1.42 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.929 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 54.0 Cg_endo -69.76 -15.86 37.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.242 . . . . 0.0 112.348 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -91.04 7.14 81.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.631 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.07 161.94 0.66 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.631 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 54.2 Cg_endo -69.71 -38.01 8.49 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.26 . . . . 0.0 112.355 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.509 ' CG1' HG22 ' A' ' 729' ' ' VAL . 44.6 t -51.32 147.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.02 87.64 7.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -51.92 -39.31 58.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -54.93 -54.22 45.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.51 -27.72 69.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.795 HD22 HG23 ' A' ' 729' ' ' VAL . 2.3 tp -58.69 -51.05 71.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 743' ' ' THR . . . . . 0.672 HG23 ' HB1' ' A' ' 672' ' ' ALA . 2.2 m -60.77 -37.44 81.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -34.82 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -70.39 -44.83 67.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 746' ' ' VAL . . . . . 0.721 HG11 ' CE2' ' A' ' 680' ' ' PHE . 23.5 m -67.46 -38.93 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 747' ' ' ILE . . . . . 0.509 HD11 HG22 ' A' ' 743' ' ' THR . 53.0 mt -65.49 -49.84 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -62.22 -46.01 90.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 61.7 m -65.56 -43.66 89.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 750' ' ' ALA . . . . . 0.438 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -65.09 -41.86 94.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -67.32 -36.02 80.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -48.54 59.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 753' ' ' ILE . . . . . 0.489 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.31 -34.39 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.469 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.4 -41.48 84.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -63.87 -38.44 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.96 -26.92 67.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -63.25 -38.58 91.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 758' ' ' LYS . . . . . 0.402 ' HA ' HG12 ' A' ' 761' ' ' VAL . 22.5 mtpt -66.69 -39.63 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 759' ' ' GLN . . . . . 0.401 ' HA ' HG22 ' A' ' 762' ' ' THR . 1.6 tt0 -74.11 -31.4 62.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 760' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 764' ' ' THR . 7.1 tp -78.83 -37.56 40.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' A' ' 758' ' ' LYS . 7.0 p -73.27 -32.32 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 762' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 759' ' ' GLN . 15.1 t -77.15 -35.46 56.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.69 -38.74 82.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 760' ' ' LEU . 61.4 p -67.62 -43.46 80.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 95.7 m -66.26 -49.1 68.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -22.77 61.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.83 169.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -52.12 -35.73 49.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 769' ' ' LYS . . . . . 0.4 ' NZ ' HG23 ' A' ' 651' ' ' THR . 0.0 OUTLIER -86.77 147.65 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.06 -171.78 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -110.77 -73.66 0.73 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.53 160.11 35.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.693 0.759 . . . . 0.0 110.828 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.614 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.5 Cg_endo -69.77 152.54 69.28 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.8 t70 -101.25 137.94 19.81 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.61 0.719 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 646' ' ' PRO . . . . . 0.519 ' O ' HD12 ' A' ' 704' ' ' LEU . 53.3 Cg_endo -69.74 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.744 2.296 . . . . 0.0 112.332 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -111.06 -150.14 11.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.678 HD22 HG21 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -111.52 152.08 43.74 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.599 0.714 . . . . 0.0 110.965 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -50.52 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.319 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 654' ' ' VAL . 1.0 OUTLIER -123.59 121.54 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.7 m -65.26 -52.55 53.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -57.94 -47.01 84.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.475 ' HA ' HD21 ' A' ' 656' ' ' LEU . 30.8 m-20 -51.87 -36.35 48.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.678 HG21 HD22 ' A' ' 648' ' ' LEU . 90.1 t -70.06 -47.0 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.41 -53.46 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 657' ' ' LYS . 4.6 pp -63.61 -29.18 70.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.978 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.733 ' O ' HG23 ' A' ' 661' ' ' VAL . 2.8 mmtp -70.6 -36.88 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.46 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.63 -44.51 15.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -58.05 -36.27 72.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 15.5 pt20 -71.59 -31.15 66.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 657' ' ' LYS . 70.3 t -63.06 -45.82 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.663 ' HA ' HD12 ' A' ' 665' ' ' ILE . 75.4 p -60.04 -37.01 78.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -68.41 -43.09 77.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -60.75 -35.71 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.8 mt -68.45 -39.86 81.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -55.85 -34.61 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.48 -38.34 86.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.708 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.45 -38.96 71.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.529 HD21 ' CB ' ' A' ' 750' ' ' ALA . 24.0 mt -70.0 -49.13 54.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -60.07 -36.87 78.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 671' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 676' ' ' LYS . . . -68.6 -34.16 75.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.1 65.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.97 -29.93 70.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -92.65 8.15 40.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 51.6 75.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 676' ' ' LYS . . . . . 0.442 ' HB2' ' HB1' ' A' ' 671' ' ' ALA . 17.0 mmmt -131.48 67.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -55.8 -32.79 63.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -22.44 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 62.3 m -91.03 -5.61 55.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 680' ' ' PHE . . . . . 0.734 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.2 m-30 -71.96 -35.2 69.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.566 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -56.87 -56.32 34.38 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.637 0.732 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.3 Cg_endo -69.74 -43.3 2.76 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.708 ' HB3' HD22 ' A' ' 668' ' ' LEU . 14.9 m -58.2 -38.18 76.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 2.2 t -75.26 -32.44 61.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.7 -47.11 49.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -57.61 -34.64 69.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.506 HD11 ' HB2' ' A' ' 668' ' ' LEU . 59.3 mt -67.67 -37.4 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -65.38 -37.22 86.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.5 mt -57.37 -47.13 82.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.608 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.3 -36.29 81.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.619 HG13 ' HG ' ' A' ' 714' ' ' LEU . 89.9 t -71.05 -51.48 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 92.9 m -65.45 -41.31 93.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.78 -36.44 74.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -50.08 67.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -54.06 -36.99 63.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.053 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 40.2 t -55.68 -37.94 68.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.95 -20.88 65.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.629 ' CE1' HD23 ' A' ' 648' ' ' LEU . 95.5 m-85 -93.72 155.9 40.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.737 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 177.07 5.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.294 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -31.32 13.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.38 130.3 6.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 159.03 54.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.614 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.39 16.4 20.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 646' ' ' PRO . 0.2 OUTLIER -116.98 140.88 48.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.626 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 15.9 mt-10 -62.47 -52.89 62.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.6 Cg_endo -69.71 -34.94 13.73 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.318 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.02 -34.84 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -65.22 -46.09 82.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 9.5 m -73.04 -40.72 64.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 710' ' ' SER . . . . . 0.44 ' HA ' HD21 ' A' ' 713' ' ' LEU . 2.6 t -59.4 -39.1 82.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.44 -28.42 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -39.73 66.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.0 pp -75.85 -32.72 59.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.654 ' N ' HD12 ' A' ' 713' ' ' LEU . 7.9 tp -63.58 -50.99 67.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -43.21 93.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.93 -34.01 76.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 47.3 m -63.42 -47.88 80.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -69.64 -29.96 67.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -45.27 81.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -68.55 -41.21 80.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -40.68 89.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -65.11 -45.46 85.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.62 -39.53 88.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -69.24 -49.48 55.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 725' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 728' ' ' THR . 13.9 m -69.21 -27.51 65.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -53.72 -36.77 62.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -103.65 70.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 725' ' ' CYS . 4.9 p -88.81 -177.68 5.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.86 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.4 t -119.09 64.97 7.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.589 0.709 . . . . 0.0 111.18 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.929 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.6 Cg_endo -69.73 -26.04 28.1 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.647 2.231 . . . . 0.0 112.33 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.929 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.1 Cg_endo -69.7 -165.18 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.266 . . . . 0.0 112.342 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.45 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.8 OUTLIER -50.29 156.36 1.46 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.5 Cg_endo -69.79 -15.31 36.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -92.17 7.71 78.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.626 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.07 161.92 0.66 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.535 0.683 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.626 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.4 Cg_endo -69.79 -37.91 8.44 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.54 ' HB ' HG22 ' A' ' 729' ' ' VAL . 47.1 t -51.24 147.41 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.68 83.44 4.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -51.82 -37.98 53.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -54.87 -41.78 71.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.2 -29.6 61.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -49.07 79.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -38.12 75.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -69.12 -35.02 75.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -70.2 -44.97 67.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 746' ' ' VAL . . . . . 0.734 HG11 ' CE2' ' A' ' 680' ' ' PHE . 24.4 m -67.73 -38.79 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.47 -49.37 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -62.18 -46.0 90.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 78.0 m -65.58 -47.54 75.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 750' ' ' ALA . . . . . 0.529 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -62.96 -42.23 99.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -67.54 -35.73 79.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.32 -48.3 61.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.852 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 753' ' ' ILE . . . . . 0.462 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -65.93 -34.72 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.44 -44.16 79.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -66.85 -39.24 87.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.84 -27.49 68.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.31 95.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -58.77 -38.14 77.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -73.07 -28.43 62.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.63 -39.16 37.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.46 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.2 p -71.8 -36.69 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.0 t -70.18 -32.6 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.34 -42.46 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.675 HG22 HD11 ' A' ' 648' ' ' LEU . 66.6 p -66.32 -42.68 87.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 92.2 m -66.07 -49.04 69.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -67.13 -32.88 74.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.51 153.89 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.6 55.44 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.84 138.03 24.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.75 -178.7 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -77.23 -112.88 0.15 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.57 160.53 1.9 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.567 0.698 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.698 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.1 Cg_endo -69.77 152.23 69.22 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.643 2.229 . . . . 0.0 112.345 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.475 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.0 OUTLIER -97.92 137.08 20.89 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.619 0.723 . . . . 0.0 110.876 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -49.05 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.281 . . . . 0.0 112.33 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -107.04 -145.76 12.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.811 HD13 HG21 ' A' ' 654' ' ' VAL . 0.2 OUTLIER -114.41 157.85 41.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.96 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.731 2.287 . . . . 0.0 112.307 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.698 ' O ' HG23 ' A' ' 654' ' ' VAL . 11.1 m -124.25 119.97 30.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.3 m -66.43 -53.58 34.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -48.89 78.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.481 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.1 t70 -50.69 -36.22 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.829 HG11 HG21 ' A' ' 764' ' ' THR . 90.4 t -70.38 -46.86 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.63 -53.15 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 653' ' ' ASP . 4.4 pp -64.6 -29.49 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.736 ' O ' HG23 ' A' ' 661' ' ' VAL . 2.2 mmtp -71.17 -36.97 72.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.608 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.3 OUTLIER -82.21 -44.32 16.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.74 -36.47 72.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.438 HE21 ' HB2' ' A' ' 690' ' ' ALA . 14.8 pt20 -71.94 -30.6 65.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 657' ' ' LYS . 66.8 t -63.65 -45.44 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.71 ' HA ' HD12 ' A' ' 665' ' ' ILE . 82.1 p -60.74 -37.02 80.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.33 -43.86 76.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -60.73 -34.93 75.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 662' ' ' THR . 16.8 mt -67.85 -38.56 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -58.75 -34.25 71.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -61.17 -35.98 78.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.24 -38.23 71.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 751' ' ' TYR . 10.4 mp -68.08 -49.32 62.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -59.29 -37.0 76.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.15 -32.71 74.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.607 ' HB1' ' CG2' ' A' ' 743' ' ' THR . . . -71.46 -49.4 41.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -61.75 -20.04 63.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.85 11.41 39.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 53.03 64.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -128.66 82.81 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -64.67 -38.24 90.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -69.36 -23.6 63.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 36.4 m -74.88 -14.84 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -71.71 -35.32 70.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.54 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.01 -57.32 20.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.9 Cg_endo -69.78 -44.44 2.06 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.349 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.71 ' HB3' HD22 ' A' ' 668' ' ' LEU . 24.7 m -60.02 -34.5 73.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 8.3 t -74.48 -32.29 62.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.39 -47.87 62.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -58.65 -34.34 71.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 691' ' ' VAL . 52.5 mt -68.86 -37.82 77.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -63.88 -36.58 84.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.86 -49.33 75.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.691 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.98 -36.66 84.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.771 HG13 ' HG ' ' A' ' 714' ' ' LEU . 95.4 t -67.13 -51.95 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 81.4 m -67.62 -42.41 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.54 -42.68 98.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 694' ' ' MET . . . . . 0.411 ' HE3' HG13 ' A' ' 654' ' ' VAL . 0.0 OUTLIER -65.1 -50.0 67.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.44 84.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 2.5 t -56.07 -36.36 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.482 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -63.44 -21.6 66.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.639 ' CE2' HD22 ' A' ' 648' ' ' LEU . 47.4 m-85 -87.75 151.31 49.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 148.71 65.54 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -19.67 44.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -130.46 87.55 49.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 152.98 69.68 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.739 2.293 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -112.23 22.1 15.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.451 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.4 OUTLIER -118.81 137.54 53.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.65 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 1.8 mt-10 -61.76 -51.96 72.27 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.632 0.729 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.65 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.7 -28.57 25.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.246 . . . . 0.0 112.356 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.66 -37.42 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -65.52 -45.52 83.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.7 m -75.11 -39.39 60.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 710' ' ' SER . . . . . 0.603 ' HB3' HD23 ' A' ' 760' ' ' LEU . 29.7 m -59.16 -28.91 67.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -27.68 58.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -73.07 -40.45 65.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.727 HD13 ' HB1' ' A' ' 756' ' ' ALA . 4.0 pp -75.87 -32.81 59.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.771 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.2 tp -67.1 -51.19 57.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -64.88 -43.22 93.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.77 76.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 1.4 m -61.94 -48.12 81.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -67.27 -29.93 69.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -73.17 -45.78 54.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -62.74 -45.18 93.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -45.29 93.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -56.81 -34.72 67.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.27 -37.67 86.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -68.72 -49.32 59.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 7.3 p -65.69 -26.66 67.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -49.17 71.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 727' ' ' LYS . . . . . 0.731 ' O ' HD21 ' A' ' 742' ' ' LEU . 0.2 OUTLIER -105.36 78.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.709 HG22 ' CD1' ' A' ' 742' ' ' LEU . 22.0 p -103.63 -177.24 3.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.872 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 0.5 OUTLIER -124.57 60.38 24.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 111.084 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.931 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.4 Cg_endo -69.79 -25.92 27.97 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.617 2.212 . . . . 0.0 112.347 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.931 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.4 Cg_endo -69.7 -87.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.262 . . . . 0.0 112.402 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 729' ' ' VAL . 0.7 OUTLIER -136.55 156.09 76.54 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.9 Cg_endo -69.77 -14.16 35.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -76.55 -10.24 85.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.658 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.87 162.55 0.76 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.555 0.693 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.658 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 54.4 Cg_endo -69.73 -8.34 23.35 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.347 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.636 ' CG2' HG22 ' A' ' 729' ' ' VAL . 2.9 m -98.75 120.33 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 738' ' ' ASP . . . . . 0.461 ' HB3' HD23 ' A' ' 741' ' ' LEU . 0.7 OUTLIER -54.71 100.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -50.94 -33.26 23.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -71.24 -37.19 72.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.461 HD23 ' HB3' ' A' ' 738' ' ' ASP . 3.7 mm? -66.54 -33.37 75.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.731 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.2 OUTLIER -58.87 -41.23 86.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 743' ' ' THR . . . . . 0.607 ' CG2' ' HB1' ' A' ' 672' ' ' ALA . 0.2 OUTLIER -73.43 -35.36 65.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -69.78 -35.24 74.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -69.89 -45.28 67.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.2 m -66.66 -38.88 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.071 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 59.4 mt -67.48 -50.04 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -60.46 -46.18 90.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 4.0 t -63.8 -47.99 78.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 750' ' ' ALA . . . . . 0.596 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -59.81 -42.26 93.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 751' ' ' TYR . . . . . 0.415 ' CE1' HD21 ' A' ' 669' ' ' LEU . 1.5 m-85 -67.52 -35.67 79.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.04 -48.08 63.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 753' ' ' ILE . . . . . 0.4 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -65.66 -34.42 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.465 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.25 -44.04 80.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -65.74 -36.68 84.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 756' ' ' ALA . . . . . 0.727 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -65.74 -26.85 67.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.27 -37.77 74.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -58.9 -38.25 78.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -28.37 62.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 760' ' ' LEU . . . . . 0.668 ' O ' HG23 ' A' ' 764' ' ' THR . 0.3 OUTLIER -78.66 -39.38 37.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.608 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.4 p -71.46 -36.64 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.3 t -70.43 -33.08 70.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.63 -38.91 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.829 HG21 HG11 ' A' ' 654' ' ' VAL . 17.9 p -66.97 -41.91 86.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 39.4 m -65.29 -49.09 70.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -66.79 -28.8 68.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -62.8 154.03 31.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -99.3 -51.56 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 37.14 43.42 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -146.09 31.15 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 101.42 -175.18 25.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.62 160.54 81.94 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.693 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.4 Cg_endo -69.79 152.22 69.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.7 t70 -97.09 136.9 21.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.611 0.72 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 647' ' ' GLY . . . . . 0.499 ' C ' HD23 ' A' ' 648' ' ' LEU . . . -106.02 -133.8 7.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.475 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.875 HD13 HG21 ' A' ' 654' ' ' VAL . 0.9 OUTLIER -128.7 154.96 79.84 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.62 0.724 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -51.65 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.715 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.9 m -124.18 120.32 31.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.7 m -66.18 -53.16 40.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -57.88 -48.44 79.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.47 ' HA ' HD21 ' A' ' 656' ' ' LEU . 3.4 t70 -51.08 -35.2 33.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.875 HG21 HD13 ' A' ' 648' ' ' LEU . 99.1 t -70.35 -47.07 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.08 -53.52 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 657' ' ' LYS . 4.6 pp -63.78 -28.97 70.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' 661' ' ' VAL . 3.0 mmtp -70.8 -36.7 73.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.517 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.64 -44.58 15.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -57.46 -36.16 71.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -71.65 -30.31 65.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.827 HG22 ' HB1' ' A' ' 690' ' ' ALA . 70.4 t -62.83 -47.79 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.687 ' HA ' HD12 ' A' ' 665' ' ' ILE . 73.2 p -58.89 -35.71 73.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -68.14 -44.1 76.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -60.6 -38.5 84.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 662' ' ' THR . 14.3 mt -64.81 -38.24 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -56.86 -33.91 67.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -61.54 -38.29 86.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.43 -39.79 70.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.548 HD21 ' CB ' ' A' ' 750' ' ' ALA . 23.4 mt -70.05 -49.6 49.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -59.11 -36.88 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.14 -31.18 70.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.753 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -69.32 -49.2 58.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -64.22 -34.42 78.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -85.13 -3.71 58.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 61.85 75.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -134.45 69.13 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -56.32 -30.4 62.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.49 -22.47 61.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 1.7 t -91.31 -6.2 53.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 680' ' ' PHE . . . . . 0.73 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -71.16 -34.47 71.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.572 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.4 t -59.25 -55.73 43.28 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.648 0.737 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.8 Cg_endo -69.81 -40.25 5.47 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.725 ' HB3' HD22 ' A' ' 668' ' ' LEU . 6.9 m -58.54 -34.47 71.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -32.87 58.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -69.33 -47.83 63.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -57.53 -37.03 72.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 691' ' ' VAL . 58.7 mt -67.3 -37.05 78.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 688' ' ' HIS . . . . . 0.405 ' ND1' ' HB1' ' A' ' 718' ' ' ALA . 6.3 m-70 -64.53 -36.87 85.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.96 -47.66 80.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.827 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.17 -36.35 83.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.742 HG13 ' HG ' ' A' ' 714' ' ' LEU . 92.9 t -68.6 -51.44 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 57.0 m -67.08 -43.57 82.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.83 -38.38 78.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -49.79 68.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.02 82.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 9.4 t -55.4 -38.2 68.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.466 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.97 -20.77 65.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.562 ' CZ ' HD22 ' A' ' 648' ' ' LEU . 53.1 m-85 -89.81 158.12 45.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.731 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 169.6 18.58 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -25.34 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.38 120.3 3.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 165.38 31.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.693 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -120.72 25.04 9.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.431 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.6 OUTLIER -124.48 140.11 53.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.634 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 0.9 OUTLIER -61.49 -52.8 67.41 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.8 Cg_endo -69.78 -29.07 24.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 34.6 t -67.38 -37.21 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -45.93 83.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 17.4 m -74.25 -42.05 60.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 710' ' ' SER . . . . . 0.447 ' HA ' HD21 ' A' ' 713' ' ' LEU . 77.9 p -60.18 -38.2 82.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.831 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.09 -29.1 57.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.58 -39.9 67.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.1 pp -76.08 -32.71 59.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.742 ' HG ' HG13 ' A' ' 691' ' ' VAL . 10.4 tp -60.73 -51.1 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -64.53 -38.61 91.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.95 76.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -37.4 84.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 718' ' ' ALA . . . . . 0.405 ' HB1' ' ND1' ' A' ' 688' ' ' HIS . . . -71.88 -36.74 70.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.89 -46.16 82.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -63.82 -46.12 86.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 721' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 721' ' ' LEU . 0.4 OUTLIER -60.08 -38.14 82.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -47.47 80.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 38.1 m -66.9 -44.44 80.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -60.54 -49.89 75.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 725' ' ' CYS . . . . . 0.456 ' SG ' HD21 ' A' ' 668' ' ' LEU . 10.2 m -69.63 -35.22 75.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -53.67 -36.78 62.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -97.8 66.89 1.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.695 HG21 ' HB2' ' A' ' 680' ' ' PHE . 0.6 OUTLIER -99.14 177.23 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.166 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.879 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 1.7 t -119.82 65.24 9.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.928 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.9 Cg_endo -69.8 -25.35 28.52 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.928 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.0 Cg_endo -69.76 -88.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.429 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.7 OUTLIER -139.23 155.5 72.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.672 0.749 . . . . 0.0 110.846 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.7 Cg_endo -69.77 -12.74 33.51 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.357 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -82.27 -8.09 86.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.62 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -56.5 161.33 4.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.553 0.692 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.62 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.9 Cg_endo -69.75 -9.0 25.03 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.366 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.423 ' CG1' HG22 ' A' ' 729' ' ' VAL . 94.6 t -72.06 144.52 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.87 81.05 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -52.0 -36.4 49.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -50.95 29.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -28.91 69.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -47.75 84.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 743' ' ' THR . . . . . 0.753 HG23 ' HB1' ' A' ' 672' ' ' ALA . 37.3 m -58.21 -37.61 75.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -35.07 75.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -70.1 -45.09 67.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 746' ' ' VAL . . . . . 0.73 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.5 m -67.33 -38.86 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 747' ' ' ILE . . . . . 0.609 ' CD1' HG22 ' A' ' 743' ' ' THR . 52.0 mt -64.03 -45.77 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.209 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -62.19 -46.07 90.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.97 -46.66 73.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 750' ' ' ALA . . . . . 0.548 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -62.84 -41.89 99.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -67.37 -35.88 80.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.27 -48.42 65.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 753' ' ' ILE . . . . . 0.482 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.29 -34.95 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.73 -44.21 78.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.087 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -68.23 -38.98 82.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 756' ' ' ALA . . . . . 0.489 ' HB1' ' CD1' ' A' ' 713' ' ' LEU . . . -60.81 -27.1 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.89 -38.67 73.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -58.8 -38.26 78.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.05 -28.46 62.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 760' ' ' LEU . . . . . 0.672 ' O ' HG23 ' A' ' 764' ' ' THR . 0.3 OUTLIER -78.62 -39.3 37.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.517 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.3 p -71.57 -36.54 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.6 t -70.56 -33.49 71.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.62 -38.75 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 760' ' ' LEU . 20.5 p -67.75 -43.52 79.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 97.2 m -66.16 -49.08 68.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -23.5 62.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.08 164.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -33.79 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 2.6 tptp 58.03 94.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.828 0.347 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -145.27 154.81 42.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 130.81 -177.82 18.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.08 155.64 6.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.56 0.695 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.714 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.5 Cg_endo -69.77 152.09 69.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.5 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.1 t70 -98.39 136.98 20.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -118.14 -140.88 6.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.865 HD13 HG21 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -108.65 152.22 42.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 0.0 110.913 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -51.79 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.721 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.7 m -124.29 121.54 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.01 -53.18 50.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -58.5 -48.04 82.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.533 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.3 t70 -51.76 -36.44 47.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.865 HG21 HD13 ' A' ' 648' ' ' LEU . 93.3 t -68.97 -47.19 77.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.77 -52.73 50.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.75 -30.12 71.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.743 ' O ' HG23 ' A' ' 661' ' ' VAL . 4.5 mmtm -70.99 -36.78 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.677 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.5 OUTLIER -82.16 -44.45 16.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -57.71 -36.35 71.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -71.73 -30.62 65.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.819 HG22 ' HB1' ' A' ' 690' ' ' ALA . 77.8 t -63.58 -47.25 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.718 ' HA ' HD12 ' A' ' 665' ' ' ILE . 79.1 p -58.79 -36.04 73.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.19 -44.93 74.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -60.59 -32.78 71.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 662' ' ' THR . 12.7 mt -72.03 -37.97 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -34.33 71.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.38 -35.7 78.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.92 -38.39 72.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.62 -49.13 64.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -60.69 -37.38 81.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.62 -31.77 72.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.29 44.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.83 -23.26 67.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -94.66 10.34 35.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 51.52 64.79 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -128.59 84.8 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -64.86 -38.56 91.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -69.35 -23.05 63.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 36.8 m -75.52 -15.02 60.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 680' ' ' PHE . . . . . 0.548 ' CD2' HG11 ' A' ' 746' ' ' VAL . 18.3 m-30 -71.77 -35.19 69.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.539 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.06 -57.28 20.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.8 -44.49 2.02 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.7 ' HB3' HD22 ' A' ' 668' ' ' LEU . 23.9 m -59.92 -34.26 72.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 8.7 t -75.25 -32.3 61.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.53 -47.7 59.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -58.14 -37.5 74.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.602 ' O ' HG23 ' A' ' 691' ' ' VAL . 56.4 mt -66.34 -37.5 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 688' ' ' HIS . . . . . 0.448 ' CE1' ' HG1' ' A' ' 692' ' ' THR . 68.0 t60 -63.95 -37.05 85.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -57.7 -49.91 74.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.819 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.63 -36.61 83.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 687' ' ' ILE . 72.2 t -68.48 -51.54 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 692' ' ' THR . . . . . 0.448 ' HG1' ' CE1' ' A' ' 688' ' ' HIS . 92.7 m -67.04 -43.14 83.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.32 -37.46 77.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 2.3 ttp -65.16 -49.88 68.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -67.51 -36.4 80.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 1.1 m -55.33 -39.4 69.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.65 -20.58 64.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.555 ' CE1' HD22 ' A' ' 648' ' ' LEU . 70.3 m-85 -101.98 154.34 37.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 156.56 63.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -14.43 60.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.73 84.22 39.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.54 0.686 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 162.29 42.63 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -109.27 18.21 20.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.445 HD13 ' CG2' ' A' ' 707' ' ' VAL . 0.5 OUTLIER -111.61 135.17 52.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.667 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.1 mt-10 -62.32 -51.02 76.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.729 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.3 Cg_endo -69.72 -29.17 24.48 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.39 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 707' ' ' VAL . . . . . 0.445 ' CG2' HD13 ' A' ' 704' ' ' LEU . 17.7 t -66.31 -37.55 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -66.22 -45.98 78.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 709' ' ' SER . . . . . 0.444 ' O ' HD23 ' A' ' 713' ' ' LEU . 2.7 m -75.03 -35.24 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.814 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 710' ' ' SER . . . . . 0.592 ' HA ' HD21 ' A' ' 713' ' ' LEU . 15.7 m -59.61 -32.3 70.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -27.45 60.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -59.84 -54.62 44.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.604 HD23 ' H ' ' A' ' 713' ' ' LEU . 1.1 pt? -76.9 -32.08 57.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 691' ' ' VAL . 68.0 tp -60.38 -51.5 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -65.64 -44.42 86.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.92 -33.39 75.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -48.04 82.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.02 67.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.55 -35.2 60.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -71.36 -42.47 68.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.86 -39.16 84.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -62.3 -39.67 93.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -37.6 85.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -68.09 -49.52 60.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 9.0 p -66.39 -26.68 67.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -65.32 -36.95 85.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 727' ' ' LYS . . . . . 0.597 ' O ' HD11 ' A' ' 742' ' ' LEU . 0.0 OUTLIER -106.32 73.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 21.6 p -115.19 -177.85 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.893 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 1.6 t -119.28 65.82 8.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.918 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.1 Cg_endo -69.81 -25.3 28.53 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.326 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.918 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.6 Cg_endo -69.79 -88.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.429 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.8 OUTLIER -138.77 155.55 73.23 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.583 0.706 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.3 Cg_endo -69.82 -13.64 34.8 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.308 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -81.24 -9.56 85.86 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.458 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -54.99 161.44 2.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 0.0 111.086 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.4 Cg_endo -69.8 -8.51 23.79 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.423 ' CG1' HG22 ' A' ' 729' ' ' VAL . 97.7 t -75.97 144.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.88 86.53 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -55.31 -26.49 40.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -68.38 -54.53 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.01 -27.84 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.597 HD11 ' O ' ' A' ' 727' ' ' LYS . 1.3 mm? -58.86 -50.07 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -36.78 73.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -70.11 -34.91 73.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -70.55 -45.91 64.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 746' ' ' VAL . . . . . 0.548 HG11 ' CD2' ' A' ' 680' ' ' PHE . 20.1 m -64.79 -38.81 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 54.1 mt -65.54 -48.31 83.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.154 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -59.55 -46.34 89.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 95.0 m -62.94 -45.18 93.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.81 94.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -67.85 -35.59 78.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -70.34 -48.35 56.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -34.29 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.604 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.18 -42.79 83.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -64.57 -35.34 80.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 756' ' ' ALA . . . . . 0.482 ' HB2' HD12 ' A' ' 713' ' ' LEU . . . -64.09 -37.85 88.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 758' ' ' LYS . . . . . 0.407 ' HA ' HG12 ' A' ' 761' ' ' VAL . 16.2 mtpt -58.79 -38.52 78.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -72.92 -28.13 62.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 760' ' ' LEU . . . . . 0.674 ' O ' HG23 ' A' ' 764' ' ' THR . 0.2 OUTLIER -78.79 -39.61 35.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.677 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.2 p -71.03 -36.87 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.5 t -70.09 -33.15 71.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.77 -38.94 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.717 HG21 HG11 ' A' ' 654' ' ' VAL . 17.8 p -67.28 -40.85 86.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 60.4 m -65.97 -49.19 68.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -65.88 -21.05 66.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.56 -32.3 69.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm 64.88 27.15 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 113.45 20.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.816 0.341 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 55.74 -174.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -110.88 -131.0 5.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.57 158.47 1.5 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.646 0.736 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.707 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.8 Cg_endo -69.77 152.26 69.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 645' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.4 t70 -98.02 137.54 20.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 110.838 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.27 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 647' ' ' GLY . . . . . 0.575 ' C ' HD13 ' A' ' 648' ' ' LEU . . . -109.56 -144.53 10.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.575 HD13 ' C ' ' A' ' 647' ' ' GLY . 0.2 OUTLIER -112.13 151.5 43.68 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.592 0.71 . . . . 0.0 110.905 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 -51.05 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 654' ' ' VAL . 1.2 m -123.86 120.77 33.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.24 -53.33 46.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -58.2 -47.79 82.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.537 ' HA ' HD21 ' A' ' 656' ' ' LEU . 42.5 m-20 -51.87 -36.48 48.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.761 HG11 HG21 ' A' ' 764' ' ' THR . 96.6 t -69.1 -47.12 76.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.93 -52.88 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.537 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.3 -30.17 71.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.739 ' O ' HG23 ' A' ' 661' ' ' VAL . 5.7 mmtm -70.77 -36.67 73.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 658' ' ' THR . . . . . 0.614 HG22 ' HB1' ' A' ' 757' ' ' ALA . 0.3 OUTLIER -82.34 -44.41 16.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.95 -36.2 72.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 11.2 pt20 -71.5 -30.58 66.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.828 HG22 ' HB1' ' A' ' 690' ' ' ALA . 72.4 t -63.97 -46.05 95.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.718 ' HA ' HD12 ' A' ' 665' ' ' ILE . 72.9 p -60.16 -35.67 75.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -67.77 -44.93 76.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -60.57 -36.7 79.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 662' ' ' THR . 12.6 mt -66.89 -39.23 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -56.49 -34.01 66.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -61.61 -38.15 86.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.727 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.62 -40.16 69.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 750' ' ' ALA . 22.9 mt -69.86 -49.57 51.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -58.85 -36.79 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.25 -31.13 70.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.903 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -67.93 -49.07 63.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.66 -36.46 83.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -81.94 -4.25 56.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 61.83 74.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -133.85 68.6 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -56.23 -30.24 62.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -71.54 -22.49 61.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 679' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 682' ' ' PRO . 1.5 t -90.73 -6.8 53.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 680' ' ' PHE . . . . . 0.769 ' HB2' HG21 ' A' ' 728' ' ' THR . 3.2 m-30 -71.07 -34.58 71.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.57 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.4 t -59.08 -55.82 42.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.095 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.6 Cg_endo -69.75 -40.61 5.13 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.677 2.252 . . . . 0.0 112.325 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.727 ' HB3' HD22 ' A' ' 668' ' ' LEU . 7.5 m -58.32 -33.6 69.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -33.03 59.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.95 -47.52 62.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -57.47 -37.23 72.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 691' ' ' VAL . 58.6 mt -67.34 -37.26 78.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.145 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -64.13 -36.62 84.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.6 -48.56 77.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.828 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.19 -36.49 83.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.615 HG13 ' HG ' ' A' ' 714' ' ' LEU . 98.3 t -68.1 -51.66 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 60.5 m -67.23 -44.25 79.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.98 -36.42 74.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -49.69 69.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.07 80.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 40.8 t -55.52 -36.29 66.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -65.49 -20.69 66.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.571 ' CE2' HD12 ' A' ' 648' ' ' LEU . 47.5 m-85 -88.33 158.27 49.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.64 0.733 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 172.59 12.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.258 . . . . 0.0 112.363 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -22.81 20.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -156.56 122.34 2.5 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.631 0.729 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 162.56 41.59 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.255 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.707 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -119.53 25.03 10.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.436 HD13 HG23 ' A' ' 707' ' ' VAL . 1.5 mt -125.77 140.38 52.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.634 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 1.3 mt-10 -61.44 -52.81 67.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.655 0.741 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.7 Cg_endo -69.75 -28.86 24.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 707' ' ' VAL . . . . . 0.436 HG23 HD13 ' A' ' 704' ' ' LEU . 35.3 t -67.63 -38.08 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -64.92 -46.03 83.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.49 -42.03 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 710' ' ' SER . . . . . 0.442 ' HA ' HD21 ' A' ' 713' ' ' LEU . 57.3 m -60.02 -38.38 82.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 711' ' ' LEU . . . . . 0.638 ' O ' HD23 ' A' ' 711' ' ' LEU . 3.8 tt -76.02 -29.06 57.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.64 -40.04 66.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.65 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.1 pp -75.95 -32.64 59.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.65 ' N ' HD12 ' A' ' 713' ' ' LEU . 8.5 tp -60.73 -50.59 72.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -38.24 90.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.08 -33.78 76.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -36.31 80.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.816 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.09 68.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.052 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.9 -46.03 83.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -64.02 -46.16 85.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -38.11 81.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -47.44 81.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 31.1 t -66.76 -44.82 80.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -60.51 -49.57 77.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 10.5 m -69.47 -35.9 76.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -36.75 63.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 727' ' ' LYS . . . . . 0.462 ' HE3' HD21 ' A' ' 742' ' ' LEU . 1.5 ptmt -101.64 54.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.769 HG21 ' HB2' ' A' ' 680' ' ' PHE . 0.6 OUTLIER -84.36 179.7 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.861 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.4 t -119.77 64.5 8.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.728 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.922 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.1 Cg_endo -69.82 -25.96 27.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.922 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.3 Cg_endo -69.82 -165.14 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.248 . . . . 0.0 112.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.453 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.8 OUTLIER -50.17 156.45 1.38 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.66 0.743 . . . . 0.0 110.861 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.9 Cg_endo -69.76 -14.88 36.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -92.78 7.79 76.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.634 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -50.94 161.63 0.66 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 111.07 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.634 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 54.0 Cg_endo -69.74 -37.56 9.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.368 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.537 ' HB ' HG22 ' A' ' 729' ' ' VAL . 45.7 t -50.91 147.6 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.83 83.15 5.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -51.89 -35.9 46.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -56.65 -49.33 75.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.95 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.53 -28.03 62.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.462 HD21 ' HE3' ' A' ' 727' ' ' LYS . 1.3 mm? -58.99 -49.91 76.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 743' ' ' THR . . . . . 0.903 HG23 ' HB1' ' A' ' 672' ' ' ALA . 1.1 m -57.93 -37.64 74.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -69.44 -35.01 75.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -70.34 -45.22 66.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 746' ' ' VAL . . . . . 0.737 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.5 m -66.78 -38.92 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 47.2 mt -63.62 -45.45 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -62.19 -45.19 94.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 2.4 t -67.05 -46.65 73.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 750' ' ' ALA . . . . . 0.6 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -63.36 -41.79 98.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -67.43 -35.6 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -68.67 -48.19 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -34.77 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 754' ' ' ALA . . . . . 0.564 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.44 -44.12 79.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -63.97 -33.45 75.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.88 -27.01 67.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 757' ' ' ALA . . . . . 0.614 ' HB1' HG22 ' A' ' 658' ' ' THR . . . -70.02 -31.53 69.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 758' ' ' LYS . . . . . 0.416 ' HA ' HG12 ' A' ' 761' ' ' VAL . 2.8 mtpt -66.4 -39.44 89.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 759' ' ' GLN . . . . . 0.4 ' HA ' HG22 ' A' ' 762' ' ' THR . 1.8 mt-30 -74.04 -31.31 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 760' ' ' LEU . . . . . 0.691 ' O ' HG23 ' A' ' 764' ' ' THR . 1.3 tt -78.78 -37.71 40.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 758' ' ' LYS . 7.7 p -73.21 -32.21 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.077 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 762' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 759' ' ' GLN . 15.1 t -77.17 -35.14 56.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.56 -39.16 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.761 HG21 HG11 ' A' ' 654' ' ' VAL . 42.3 p -69.13 -40.99 77.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 88.6 m -65.75 -49.15 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -63.19 -33.32 75.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -53.16 157.8 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.13 5.81 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -72.32 133.3 44.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.796 0.331 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -89.04 -177.49 5.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 128.76 169.19 12.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.53 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.59 160.93 0.92 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.594 0.712 . . . . 0.0 110.829 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 644' ' ' PRO . . . . . 0.696 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.9 Cg_endo -69.77 152.02 69.16 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.45 136.95 20.67 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.579 0.704 . . . . 0.0 110.933 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -48.95 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.296 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 647' ' ' GLY . . . . . 0.56 ' C ' HD23 ' A' ' 648' ' ' LEU . . . -108.07 -132.42 6.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 648' ' ' LEU . . . . . 0.866 HD13 HG21 ' A' ' 654' ' ' VAL . 0.2 OUTLIER -124.77 156.76 68.0 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 0.0 110.9 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -52.12 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 650' ' ' SER . . . . . 0.662 ' O ' HG23 ' A' ' 654' ' ' VAL . 2.7 m -124.14 120.24 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.5 m -66.16 -53.3 39.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -58.03 -48.46 80.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 653' ' ' ASP . . . . . 0.484 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.2 m-20 -50.78 -36.5 37.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 654' ' ' VAL . . . . . 0.866 HG21 HD13 ' A' ' 648' ' ' LEU . 89.5 t -70.11 -46.81 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.03 -53.38 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 656' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 657' ' ' LYS . 4.6 pp -63.34 -29.56 70.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.927 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 657' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' 661' ' ' VAL . 2.3 mmtp -69.74 -37.26 76.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.27 -44.02 16.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -57.74 -36.7 72.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -71.63 -30.52 65.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 661' ' ' VAL . . . . . 0.772 HG22 ' HB1' ' A' ' 690' ' ' ALA . 76.3 t -62.95 -46.78 95.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 662' ' ' THR . . . . . 0.666 ' HA ' HD12 ' A' ' 665' ' ' ILE . 69.0 p -59.53 -37.15 77.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -68.37 -43.09 78.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -60.84 -36.44 79.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 665' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.9 mt -67.13 -38.19 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -33.56 67.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -60.36 -37.36 80.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.759 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.91 -39.14 72.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 669' ' ' LEU . . . . . 0.419 HD21 ' HB1' ' A' ' 750' ' ' ALA . 4.3 mm? -68.29 -49.55 59.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -60.31 -37.19 79.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.34 -31.73 72.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.785 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.68 -49.15 50.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -63.24 -32.3 73.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -86.84 -3.16 59.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 61.51 72.25 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -132.51 74.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -60.18 -29.72 68.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -71.45 -22.87 61.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -6.55 54.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 680' ' ' PHE . . . . . 0.735 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.4 m-30 -71.6 -39.92 70.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 681' ' ' VAL . . . . . 0.569 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -52.47 -56.31 23.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.74 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 682' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.1 Cg_endo -69.74 -43.91 2.4 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 683' ' ' CYS . . . . . 0.759 ' HB3' HD22 ' A' ' 668' ' ' LEU . 12.3 m -57.35 -34.16 68.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 2.5 p -74.71 -44.27 50.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.06 -41.62 90.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -58.36 -36.52 73.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 687' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 691' ' ' VAL . 46.8 mt -68.17 -37.53 78.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 688' ' ' HIS . . . . . 0.438 ' HA ' ' HB1' ' A' ' 718' ' ' ALA . 45.5 t60 -62.78 -36.54 83.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.74 -50.38 72.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 690' ' ' ALA . . . . . 0.772 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -61.21 -36.45 79.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 691' ' ' VAL . . . . . 0.613 HG13 ' HG ' ' A' ' 714' ' ' LEU . 96.8 t -67.7 -51.37 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 692' ' ' THR . . . . . 0.413 ' HG1' ' CE1' ' A' ' 688' ' ' HIS . 97.5 m -66.78 -42.91 85.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.88 -39.03 80.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 1.3 ttm -65.31 -49.63 68.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.96 82.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 11.6 t -55.27 -35.93 65.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 697' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -64.95 -21.72 66.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 698' ' ' PHE . . . . . 0.644 ' CE2' HD22 ' A' ' 648' ' ' LEU . 46.9 m-85 -87.5 154.18 53.61 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.679 0.752 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.18 66.45 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -20.93 31.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.05 88.72 30.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.62 0.724 . . . . 0.0 110.823 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 158.81 55.67 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.754 2.303 . . . . 0.0 112.315 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -109.84 11.24 24.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 704' ' ' LEU . . . . . 0.409 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.2 OUTLIER -105.83 136.17 45.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 705' ' ' GLU . . . . . 0.656 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 0.8 OUTLIER -62.26 -51.4 74.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.63 0.728 . . . . 0.0 110.868 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 706' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.79 -28.2 25.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 707' ' ' VAL . . . . . 0.405 ' HB ' ' CB ' ' A' ' 704' ' ' LEU . 18.1 t -67.48 -36.01 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -46.44 78.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 14.9 m -75.36 -37.9 60.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 4.8 m -59.12 -35.0 72.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.61 -29.53 68.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -72.98 -48.58 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.0 pp -72.13 -42.12 66.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 714' ' ' LEU . . . . . 0.613 ' HG ' HG13 ' A' ' 691' ' ' VAL . 21.1 tp -58.48 -51.1 71.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -65.13 -41.38 94.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.61 -33.77 76.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -46.87 87.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 718' ' ' ALA . . . . . 0.438 ' HB1' ' HA ' ' A' ' 688' ' ' HIS . . . -60.78 -43.41 98.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -41.01 77.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 39.1 mtt85 -64.69 -42.98 94.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.22 -48.67 69.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -34.93 79.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 4.9 m -66.39 -37.82 86.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -68.96 -49.14 60.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 725' ' ' CYS . . . . . 0.444 ' O ' HG23 ' A' ' 728' ' ' THR . 40.4 m -62.85 -27.75 69.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.59 -36.88 62.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -96.04 53.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 728' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 725' ' ' CYS . 1.1 p -91.88 179.13 5.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 729' ' ' VAL . . . . . 0.893 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 0.9 OUTLIER -117.71 67.37 5.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 111.13 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 730' ' ' PRO . . . . . 0.932 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.9 Cg_endo -69.71 -25.25 29.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 731' ' ' PRO . . . . . 0.932 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.2 Cg_endo -69.78 -88.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 732' ' ' GLU . . . . . 0.414 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 1.2 pt-20 -134.75 154.95 79.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.736 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 733' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.9 Cg_endo -69.8 -16.06 37.2 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.235 . . . . 0.0 112.352 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -77.57 -11.73 85.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 735' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.93 161.48 0.93 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.639 0.733 . . . . 0.0 111.061 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 736' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 54.0 Cg_endo -69.71 -8.49 23.73 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.378 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 737' ' ' VAL . . . . . 0.515 ' HB ' HG22 ' A' ' 729' ' ' VAL . 98.6 t -87.86 112.78 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.46 101.78 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -61.83 -37.78 85.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -59.74 -51.03 71.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.03 -27.59 68.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.72 -47.32 84.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 743' ' ' THR . . . . . 0.785 HG23 ' HB1' ' A' ' 672' ' ' ALA . 27.0 m -57.95 -37.61 74.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -69.69 -34.88 74.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -70.4 -45.08 66.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 746' ' ' VAL . . . . . 0.735 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.1 m -66.73 -38.62 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 747' ' ' ILE . . . . . 0.553 ' CD1' HG22 ' A' ' 743' ' ' THR . 47.6 mt -63.68 -44.92 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.09 -46.65 88.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 85.3 m -67.62 -42.19 82.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 750' ' ' ALA . . . . . 0.419 ' HB1' HD21 ' A' ' 669' ' ' LEU . . . -65.12 -42.29 94.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.43 -35.89 80.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -69.95 -48.5 58.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 753' ' ' ILE . . . . . 0.486 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.19 -34.69 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.6 -44.12 78.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -32.01 65.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.88 -29.03 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.79 -30.9 70.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 758' ' ' LYS . . . . . 0.405 ' HA ' HG12 ' A' ' 761' ' ' VAL . 7.1 mtpt -58.82 -38.34 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.35 -29.36 62.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -39.38 38.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 761' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 758' ' ' LYS . 10.0 p -71.38 -35.68 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.1 t -72.21 -34.8 68.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.0 mm -66.77 -40.54 86.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 764' ' ' THR . . . . . 0.666 HG21 HG11 ' A' ' 654' ' ' VAL . 74.2 p -69.01 -41.59 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 91.5 m -65.38 -49.01 70.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -65.45 -32.65 74.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -58.78 153.44 16.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.23 32.93 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.6 -172.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.922 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.685 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.817 0.257 . . . . 0.0 112.359 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.533 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.8 OUTLIER -94.31 135.51 24.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.572 0.701 . . . . 0.0 110.867 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -49.11 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.724 2.283 . . . . 0.0 112.329 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -113.82 -148.85 10.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.703 HD23 ' CE2' ' A' ' 698' ' ' PHE . 0.5 OUTLIER -104.37 152.69 39.32 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.651 0.739 . . . . 0.0 110.912 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.267 . . . . 0.0 112.369 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 654' ' ' VAL . 5.1 m -123.78 120.61 33.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.43 -53.35 44.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -58.43 -48.41 80.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.525 ' HA ' HD21 ' A' ' 656' ' ' LEU . 37.4 m-20 -51.39 -36.68 44.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.791 HG11 HG21 ' A' ' 764' ' ' THR . 85.4 t -69.2 -47.25 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.46 -52.94 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.37 -29.93 70.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.734 ' O ' HG23 ' A' ' 661' ' ' VAL . 4.4 mmtp -70.93 -36.75 72.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.427 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.4 OUTLIER -82.42 -44.42 16.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -57.78 -36.36 72.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -71.8 -30.92 66.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 657' ' ' LYS . 73.5 t -63.76 -45.05 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.661 ' HA ' HD12 ' A' ' 665' ' ' ILE . 68.3 p -60.86 -37.66 82.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.35 -43.06 78.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -60.97 -34.45 74.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.661 HD12 ' HA ' ' A' ' 662' ' ' THR . 16.5 mt -69.31 -39.92 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -55.79 -34.43 65.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -61.29 -38.97 88.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.07 -38.41 72.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.558 HD21 ' CB ' ' A' ' 750' ' ' ALA . 24.1 mt -70.04 -49.16 54.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -60.44 -37.1 79.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' A' ' 676' ' ' LYS . . . -68.26 -29.03 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.732 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.13 -48.98 48.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -64.21 -26.49 68.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -95.46 7.84 45.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 51.76 73.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.421 ' HB2' ' HB1' ' A' ' 671' ' ' ALA . 14.2 mmmt -128.85 66.0 1.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -55.59 -33.44 63.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -71.41 -22.24 61.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 75.5 m -91.21 -5.27 55.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . 0.742 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -72.08 -36.55 69.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.563 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.72 -56.15 33.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.749 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.0 Cg_endo -69.76 -42.63 3.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.645 2.23 . . . . 0.0 112.334 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.72 ' HB3' HD22 ' A' ' 668' ' ' LEU . 10.9 m -58.24 -38.96 77.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 1.4 t -75.02 -32.34 61.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.15 -47.53 64.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -58.3 -33.53 69.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.455 HD11 ' HB2' ' A' ' 668' ' ' LEU . 66.3 mt -68.75 -37.77 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -64.77 -36.75 85.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.75 -46.77 81.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.66 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.19 -36.59 84.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.724 HG13 ' HG ' ' A' ' 714' ' ' LEU . 89.5 t -68.27 -51.47 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 51.6 m -67.15 -43.54 82.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.92 -42.64 94.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -50.1 66.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.79 79.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -36.57 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -62.87 -20.79 65.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.703 ' CE2' HD23 ' A' ' 648' ' ' LEU . 88.2 m-85 -88.32 153.94 51.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.672 0.749 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.89 20.24 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.67 2.247 . . . . 0.0 112.4 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.66 -6.98 50.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.0 92.67 4.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.59 0.709 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 155.13 66.79 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.685 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.9 16.06 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.444 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.3 OUTLIER -111.02 137.14 49.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.653 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 2.9 mt-10 -62.01 -51.7 73.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.635 0.731 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.78 -28.78 24.76 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 20.9 t -66.9 -37.13 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -65.91 -46.05 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 26.3 m -75.16 -36.51 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . 0.425 ' HB3' HD23 ' A' ' 760' ' ' LEU . 18.4 m -58.99 -34.54 71.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.05 -29.78 67.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -72.6 -48.32 40.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.545 HD13 ' HB1' ' A' ' 756' ' ' ALA . 3.3 pp -71.74 -40.33 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.724 ' HG ' HG13 ' A' ' 691' ' ' VAL . 4.3 tp -61.46 -51.21 69.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -64.88 -40.32 94.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -66.98 -33.83 76.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -48.15 81.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . 0.664 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -68.72 -29.94 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -45.97 58.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -45.3 93.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -40.63 89.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -47.12 78.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 17.1 t -66.25 -38.5 88.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.14 -49.57 55.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . 0.715 ' O ' HG23 ' A' ' 728' ' ' THR . 18.3 m -69.44 -27.8 65.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -53.79 -36.79 62.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.82 70.41 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 725' ' ' CYS . 3.7 p -90.55 -177.63 5.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 121.657 0.742 . . . . 0.0 111.125 179.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 50.0 p90 . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -60.07 -41.95 93.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -27.82 61.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -49.66 76.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . 0.732 HG23 ' HB1' ' A' ' 672' ' ' ALA . 1.3 m -57.97 -37.46 74.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -69.6 -35.0 74.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -70.23 -45.06 67.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . 0.742 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.0 m -66.99 -38.85 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.66 -46.81 91.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -61.85 -46.11 90.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 5.6 t -66.72 -47.8 71.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . 0.558 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -61.74 -42.2 98.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.37 -35.82 80.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.03 -48.26 63.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.05 -34.74 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . 0.486 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.63 -44.18 78.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -71.92 -35.23 69.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -60.84 -26.91 67.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.62 -32.37 65.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . 0.403 ' HA ' HG12 ' A' ' 761' ' ' VAL . 15.2 mtpt -58.79 -38.31 78.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -72.99 -28.48 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 764' ' ' THR . 0.3 OUTLIER -78.51 -39.26 38.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.427 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.4 p -71.62 -36.49 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.2 t -70.84 -33.64 70.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.71 -38.96 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.791 HG21 HG11 ' A' ' 654' ' ' VAL . 29.3 p -68.97 -41.99 77.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 95.9 m -66.03 -49.1 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -65.15 -31.56 72.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.691 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.1 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.777 0.24 . . . . 0.0 112.351 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 2.7 t70 -96.72 136.83 21.52 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.544 0.688 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.13 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.32 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -111.21 -144.71 9.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.683 HD22 HG21 ' A' ' 654' ' ' VAL . 0.4 OUTLIER -113.01 152.46 44.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.572 0.701 . . . . 0.0 110.943 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.638 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.9 m -123.46 120.57 33.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.7 m -65.7 -52.49 50.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.68 -48.26 80.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.539 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.5 t70 -51.1 -37.09 43.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.778 HG11 HG21 ' A' ' 764' ' ' THR . 95.9 t -69.28 -46.72 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.82 -52.81 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.7 pp -64.01 -30.94 71.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.737 ' O ' HG23 ' A' ' 661' ' ' VAL . 1.4 mmtt -70.63 -36.32 73.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.96 -44.18 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.85 -36.65 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -71.63 -30.73 66.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.793 HG22 ' HB1' ' A' ' 690' ' ' ALA . 71.1 t -64.17 -46.06 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.688 ' HA ' HD12 ' A' ' 665' ' ' ILE . 75.8 p -59.63 -35.84 75.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.27 -43.88 76.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -60.73 -36.99 80.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.0 mt -66.22 -40.59 87.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -34.49 66.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.31 -38.27 86.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.33 -39.33 71.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.545 HD21 ' CB ' ' A' ' 750' ' ' ALA . 23.5 mt -69.64 -49.34 54.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -60.01 -36.96 78.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -70.09 -30.1 67.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.415 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.8 -49.15 49.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -62.32 -38.25 88.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -80.78 -2.9 49.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 61.49 73.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -132.25 75.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -60.41 -29.98 69.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -71.4 -22.77 61.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.93 -6.72 53.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . 0.741 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.2 m-30 -71.48 -34.4 70.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.569 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -58.22 -56.23 37.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.4 Cg_endo -69.77 -43.28 2.74 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.632 2.221 . . . . 0.0 112.36 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.694 ' HB3' HD22 ' A' ' 668' ' ' LEU . 15.5 m -58.15 -37.17 74.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 2.1 t -75.46 -32.19 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -71.86 -47.34 53.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -57.58 -35.82 70.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.541 ' O ' HG23 ' A' ' 691' ' ' VAL . 58.0 mt -67.44 -37.3 78.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -64.89 -36.8 85.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.6 mt -57.18 -49.28 76.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.793 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.81 -36.39 83.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.7 HG13 ' HG ' ' A' ' 714' ' ' LEU . 98.1 t -68.59 -51.5 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 92.0 m -67.11 -43.66 81.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.94 -35.59 73.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . 0.45 ' O ' HD23 ' A' ' 697' ' ' LEU . 3.0 ttp -65.15 -50.67 65.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -52.78 -36.75 58.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 30.5 t -55.9 -32.47 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.7 -20.98 65.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.615 ' CE1' HD23 ' A' ' 648' ' ' LEU . 88.6 m-85 -96.94 155.44 37.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 174.12 10.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -24.01 21.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -150.11 117.81 3.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 110.809 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.31 38.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.691 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -120.33 21.01 11.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.42 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.3 OUTLIER -119.9 139.98 51.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.638 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 10.7 mt-10 -61.46 -52.69 68.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.738 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.5 Cg_endo -69.76 -29.51 23.75 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 28.4 t -66.74 -38.54 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -65.32 -46.23 81.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 58.1 m -73.42 -39.46 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 34.7 m -59.29 -29.84 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.17 -29.95 63.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -72.3 -48.38 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.4 pp -70.49 -39.19 74.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.7 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.5 tp -63.67 -51.26 65.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -65.17 -46.06 82.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.84 76.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -42.64 99.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -73.02 -30.0 63.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -71.45 -46.06 61.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 17.6 mtt85 -62.6 -43.83 97.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -40.15 88.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -47.05 78.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 31.2 t -66.57 -38.45 87.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -69.14 -49.94 52.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . 0.733 ' O ' HG23 ' A' ' 728' ' ' THR . 17.6 m -69.45 -27.87 65.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -53.69 -36.76 62.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -103.83 70.69 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 725' ' ' CYS . 5.1 p -88.79 -177.85 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.683 0.754 . . . . 0.0 111.124 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 53.3 p90 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.747 0.308 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -56.36 -43.25 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -27.9 61.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -49.45 77.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . 0.415 HG23 ' HB1' ' A' ' 672' ' ' ALA . 0.2 OUTLIER -57.99 -37.91 75.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -69.06 -34.99 76.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -70.01 -45.0 68.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . 0.741 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.3 m -67.87 -39.01 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.0 mt -64.59 -49.3 81.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -62.1 -45.92 91.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 71.7 m -65.08 -47.9 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . 0.545 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -63.1 -42.0 99.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.042 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.48 -35.76 79.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.33 -48.28 61.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . 0.505 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.06 -34.8 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.084 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . 0.456 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.72 -43.93 78.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -66.08 -32.91 74.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.89 -26.96 67.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -64.52 -30.13 71.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 761' ' ' VAL . 9.2 mtpt -66.72 -39.85 88.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -73.99 -31.28 62.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 764' ' ' THR . 0.4 OUTLIER -78.94 -37.8 38.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 758' ' ' LYS . 7.0 p -72.96 -32.26 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.2 t -76.93 -35.19 57.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.9 mm -66.57 -38.79 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.778 HG21 HG11 ' A' ' 654' ' ' VAL . 43.0 p -67.96 -43.35 79.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.4 m -66.16 -49.19 68.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -24.23 62.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.719 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.778 0.241 . . . . 0.0 112.364 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.54 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 2.1 t70 -92.78 134.29 27.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.551 0.691 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -49.19 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.303 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . 0.555 ' C ' HD23 ' A' ' 648' ' ' LEU . . . -116.42 -131.5 4.76 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.819 HD13 HG21 ' A' ' 654' ' ' VAL . 0.3 OUTLIER -124.98 154.28 71.22 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.639 0.733 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -51.76 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.326 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.71 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.4 m -124.22 120.7 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.78 -53.07 45.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.135 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -57.92 -48.66 79.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.49 ' HA ' HD21 ' A' ' 656' ' ' LEU . 3.1 t0 -51.25 -35.96 39.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.819 HG21 HD13 ' A' ' 648' ' ' LEU . 98.1 t -70.08 -46.94 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.64 -53.26 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 653' ' ' ASP . 4.4 pp -64.46 -29.25 70.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.745 ' O ' HG23 ' A' ' 661' ' ' VAL . 3.4 mmtm -71.17 -36.6 72.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.445 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.5 -44.37 16.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -57.58 -36.18 71.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -71.79 -30.49 65.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.841 HG22 ' HB1' ' A' ' 690' ' ' ALA . 72.6 t -63.06 -47.4 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.711 ' HA ' HD12 ' A' ' 665' ' ' ILE . 68.9 p -58.92 -36.5 74.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -68.25 -44.67 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -60.67 -31.75 70.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 662' ' ' THR . 17.5 mt -72.19 -38.14 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.67 -34.9 69.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -36.1 79.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.09 -38.02 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.67 -49.02 64.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -60.51 -37.24 80.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -66.69 -32.84 74.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.416 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.29 -49.14 45.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -62.72 -24.08 67.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -95.21 10.81 34.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 51.48 66.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -129.22 85.6 2.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -64.94 -38.55 91.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.37 -23.46 63.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 39.5 m -75.49 -15.02 60.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -71.95 -35.34 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -54.84 -57.26 20.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.8 Cg_endo -69.75 -44.54 2.03 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.246 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.701 ' HB3' HD22 ' A' ' 668' ' ' LEU . 23.3 m -59.97 -33.77 72.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 65.0 m -75.52 -32.42 60.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.58 -48.32 64.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -58.67 -39.14 79.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 691' ' ' VAL . 57.6 mt -65.53 -37.33 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -63.43 -37.16 86.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.44 -50.3 73.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.841 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.36 -36.47 82.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.771 HG13 ' HG ' ' A' ' 714' ' ' LEU . 92.1 t -67.96 -51.42 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 94.6 m -67.19 -43.32 82.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.94 -38.95 80.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -49.58 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.34 83.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 43.4 t -55.41 -38.13 68.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.78 -21.01 65.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.443 ' CE1' HD22 ' A' ' 648' ' ' LEU . 72.5 m-85 -94.65 153.64 40.16 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.584 0.707 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 176.61 6.52 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.391 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -3.78 37.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 702' ' ' PRO . 6.9 ttm180 -154.29 93.53 2.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 701' ' ' ARG . 53.7 Cg_endo -69.79 159.34 53.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.719 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.35 7.44 20.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.49 136.74 38.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.642 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 1.9 mt-10 -61.71 -51.57 75.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.3 Cg_endo -69.8 -29.11 24.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.64 2.226 . . . . 0.0 112.337 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.68 -36.45 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -65.31 -46.08 81.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 43.2 m -75.27 -39.6 59.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 43.8 t -59.31 -32.73 70.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -29.7 68.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -72.61 -48.31 40.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.4 pp -72.14 -39.95 68.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.771 ' HG ' HG13 ' A' ' 691' ' ' VAL . 2.0 tp -62.97 -51.05 68.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.08 -41.14 95.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.92 76.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 1.7 m -61.9 -48.04 82.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.88 68.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -74.79 -45.38 43.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -62.01 -45.36 93.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -38.93 83.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.96 -45.59 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 6.1 t -66.16 -37.73 86.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -66.84 -49.38 65.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . 0.6 ' O ' HG23 ' A' ' 728' ' ' THR . 12.3 p -69.17 -27.02 65.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -36.93 84.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . 0.467 ' O ' HD21 ' A' ' 742' ' ' LEU . 1.0 OUTLIER -105.71 74.11 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 725' ' ' CYS . 50.7 p -102.59 -175.77 2.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.656 0.741 . . . . 0.0 111.122 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 52.3 p90 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.794 0.331 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -60.21 -43.91 95.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.7 -28.54 61.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.3 OUTLIER -58.87 -50.96 72.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . 0.459 HG22 HD11 ' A' ' 747' ' ' ILE . 1.8 m -59.83 -36.55 77.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -69.59 -35.18 75.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -70.02 -45.44 67.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.4 m -66.55 -38.75 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . 0.459 HD11 HG22 ' A' ' 743' ' ' THR . 56.3 mt -66.3 -49.93 71.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -59.51 -46.44 88.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 93.7 m -63.74 -44.58 93.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.32 94.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -67.8 -35.76 79.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -70.0 -48.47 57.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . 0.413 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.0 -34.19 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . 0.527 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.35 -44.0 80.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -29.01 70.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -68.76 -34.24 75.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -62.01 -33.66 74.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . 0.411 ' HA ' HG12 ' A' ' 761' ' ' VAL . 10.7 mtpt -66.78 -39.59 87.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.11 -31.53 62.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 1.3 tt -78.69 -37.61 41.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.445 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.1 p -73.22 -32.27 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.2 t -77.14 -35.17 56.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.49 -41.85 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.575 HG21 HG11 ' A' ' 654' ' ' VAL . 75.4 p -69.03 -41.05 78.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 89.3 m -65.54 -48.36 72.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -65.63 -31.71 72.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.884 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.705 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.793 0.247 . . . . 0.0 112.327 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.475 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 2.4 t70 -97.28 136.88 21.22 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.631 0.729 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.1 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.248 . . . . 0.0 112.302 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -106.38 -147.86 15.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.845 HD13 HG21 ' A' ' 654' ' ' VAL . 0.2 OUTLIER -113.14 157.35 41.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 110.915 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -52.26 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.287 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.595 ' O ' HG23 ' A' ' 654' ' ' VAL . 6.2 m -124.4 119.88 30.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -66.42 -53.22 38.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.122 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -57.65 -47.54 81.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.525 ' HA ' HD21 ' A' ' 656' ' ' LEU . 11.3 m-20 -50.71 -37.22 40.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.845 HG21 HD13 ' A' ' 648' ' ' LEU . 85.9 t -69.24 -47.1 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.83 -52.62 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -65.08 -30.23 71.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.739 ' O ' HG23 ' A' ' 661' ' ' VAL . 4.5 mmtp -71.28 -36.81 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.576 HG21 ' CG2' ' A' ' 761' ' ' VAL . 0.8 OUTLIER -82.02 -44.53 16.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -57.45 -36.46 71.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.414 HE21 ' HB2' ' A' ' 690' ' ' ALA . 14.9 pt20 -71.92 -30.77 65.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 657' ' ' LYS . 68.1 t -63.72 -45.54 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.72 ' HA ' HD12 ' A' ' 665' ' ' ILE . 72.4 p -60.72 -36.91 80.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.31 -44.14 76.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -60.8 -35.4 76.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.72 HD12 ' HA ' ' A' ' 662' ' ' THR . 14.4 mt -67.43 -37.97 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.09 -34.55 72.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -61.43 -36.24 79.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.8 -37.89 73.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.38 -49.03 65.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -60.42 -37.46 80.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.61 71.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.567 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.62 -49.29 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -64.37 -23.53 67.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -93.2 10.02 33.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 51.65 62.87 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -127.1 84.27 2.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -64.86 -38.67 91.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.32 -22.89 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 34.1 m -75.48 -14.94 60.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -71.61 -35.39 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.545 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.11 -57.26 20.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.647 0.737 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.8 Cg_endo -69.74 -44.69 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.744 2.296 . . . . 0.0 112.324 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.729 ' HB3' HD22 ' A' ' 668' ' ' LEU . 25.8 m -59.74 -35.08 73.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 687' ' ' ILE . 9.9 t -74.69 -32.2 62.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -69.72 -47.63 62.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -58.6 -34.32 70.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.48 HD12 HD23 ' A' ' 668' ' ' LEU . 52.8 mt -68.67 -37.78 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.116 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -64.13 -36.57 84.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.9 -48.06 79.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.697 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.09 -36.7 84.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.762 HG13 ' HG ' ' A' ' 714' ' ' LEU . 96.1 t -67.31 -51.77 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 59.5 m -67.45 -43.12 81.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.25 -43.1 99.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 1.7 ttt -65.08 -50.06 67.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.35 83.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 20.0 t -55.82 -36.98 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -63.08 -22.94 67.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.625 ' CE2' HD22 ' A' ' 648' ' ' LEU . 48.3 m-85 -86.25 151.6 54.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.32 64.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -20.11 40.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -130.33 87.12 51.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.16 69.23 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.705 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -112.84 20.93 16.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.449 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.3 OUTLIER -116.86 137.9 51.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.648 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 12.3 mt-10 -61.57 -51.92 73.4 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.707 0.765 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.7 Cg_endo -69.81 -29.53 23.46 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.1 t -66.75 -39.05 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -65.68 -46.03 80.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 59.0 m -73.47 -37.06 65.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 5.2 t -59.01 -34.55 72.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -29.8 68.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -72.48 -48.49 40.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.81 HD13 ' HB1' ' A' ' 756' ' ' ALA . 3.3 pp -71.52 -40.53 70.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.762 ' HG ' HG13 ' A' ' 691' ' ' VAL . 19.4 tp -64.62 -50.45 67.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -65.15 -40.57 94.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.12 -33.83 76.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -48.1 82.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . 0.489 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -63.11 -29.93 71.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -76.52 -46.01 28.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -60.96 -44.18 97.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -44.98 94.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -56.95 -34.89 68.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -37.57 85.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.9 -49.38 58.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . 0.494 ' O ' HG23 ' A' ' 728' ' ' THR . 7.2 p -65.39 -26.64 68.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -49.1 77.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . 0.654 ' O ' HD21 ' A' ' 742' ' ' LEU . 6.1 mtmt -96.05 71.25 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 725' ' ' CYS . 14.4 p -100.33 -177.75 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.648 0.737 . . . . 0.0 111.121 179.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 1.9 p90 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -67.93 -45.79 73.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -29.26 61.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.654 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.2 OUTLIER -58.97 -50.23 74.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . 0.567 HG23 ' HB1' ' A' ' 672' ' ' ALA . 3.4 m -58.12 -32.84 68.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -69.23 -35.42 76.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -69.19 -45.14 70.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.6 m -67.86 -38.85 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . 0.557 ' CD1' HG22 ' A' ' 743' ' ' THR . 60.4 mt -66.99 -50.26 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -59.18 -46.35 88.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 2.1 t -64.79 -48.16 75.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.93 92.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -67.75 -35.66 79.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -70.53 -48.21 56.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -34.19 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . 0.587 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.25 -44.13 80.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -74.09 -37.13 64.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . 0.81 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -61.83 -26.97 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.11 -22.14 61.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . 0.527 ' HA ' HG12 ' A' ' 761' ' ' VAL . 7.7 mtpt -68.46 -30.28 69.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -73.22 -41.26 63.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 761' ' ' VAL . 4.4 pp -77.87 -29.03 50.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.644 ' N ' HD12 ' A' ' 760' ' ' LEU . 1.4 p -80.73 -30.95 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 10.7 t -78.81 -32.64 46.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.39 -38.93 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 760' ' ' LEU . 72.1 p -67.62 -43.35 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.7 m -66.38 -48.99 68.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -22.52 61.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.911 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.69 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.151 0 CA-C-O 120.813 0.255 . . . . 0.0 112.287 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.9 OUTLIER -97.57 137.34 21.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.654 0.74 . . . . 0.0 110.869 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . 0.483 ' O ' HD13 ' A' ' 704' ' ' LEU . 54.2 Cg_endo -69.72 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.242 . . . . 0.0 112.405 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . 0.489 ' C ' HD13 ' A' ' 648' ' ' LEU . . . -107.97 -149.7 14.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.561 HD12 ' CE2' ' A' ' 698' ' ' PHE . 0.3 OUTLIER -107.48 152.36 41.32 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.58 0.705 . . . . 0.0 110.909 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.6 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 654' ' ' VAL . 3.1 m -123.55 120.49 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.55 -53.29 44.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.108 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -48.22 80.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.517 ' HA ' HD21 ' A' ' 656' ' ' LEU . 57.4 m-20 -51.57 -37.05 47.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.733 HG11 HG21 ' A' ' 764' ' ' THR . 96.6 t -69.19 -47.19 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.19 -52.63 53.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.517 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.85 -30.25 71.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.729 ' O ' HG23 ' A' ' 661' ' ' VAL . 1.5 mmtt -71.08 -36.67 72.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.31 -44.39 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -36.5 71.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -71.61 -30.84 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 657' ' ' LYS . 79.0 t -64.14 -44.86 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.713 ' HA ' HD12 ' A' ' 665' ' ' ILE . 82.2 p -61.18 -36.8 80.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.3 -44.65 75.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -60.81 -31.92 71.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.7 mt -71.52 -37.78 65.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.58 -34.25 75.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.13 -36.72 80.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.09 -38.14 72.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 669' ' ' LEU . 4.2 mm? -66.7 -49.14 67.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -60.41 -37.41 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.05 -32.61 73.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.563 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.74 -48.91 51.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -64.06 -26.0 68.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.958 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -96.76 7.99 45.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 51.68 73.77 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -129.9 67.03 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -55.78 -32.56 63.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -71.39 -22.53 61.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 48.7 m -90.75 -5.73 55.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . 0.733 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -72.14 -35.22 69.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.561 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -56.1 -56.49 30.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.612 0.72 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.8 -44.93 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.724 2.282 . . . . 0.0 112.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.736 ' HB3' HD22 ' A' ' 668' ' ' LEU . 29.2 m -59.21 -39.81 83.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . 0.427 ' HA ' HD12 ' A' ' 687' ' ' ILE . 6.7 t -74.78 -32.25 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -72.21 -46.99 53.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -57.53 -33.55 68.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.485 HD12 HD23 ' A' ' 668' ' ' LEU . 52.9 mt -68.04 -37.55 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . 0.55 ' HA ' ' HB1' ' A' ' 718' ' ' ALA . 38.6 t-80 -65.82 -37.12 85.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 6.2 mt -56.92 -45.63 82.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.682 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.02 -36.58 84.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.827 HG21 ' HB2' ' A' ' 718' ' ' ALA . 94.1 t -69.38 -51.38 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 63.5 m -66.39 -42.99 87.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.91 -37.64 77.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -50.07 67.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -60.28 -36.19 77.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 4.6 t -55.98 -32.36 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.458 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -70.27 -20.84 63.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.561 ' CE2' HD12 ' A' ' 648' ' ' LEU . 41.5 m-85 -84.97 158.09 59.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 167.31 24.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -29.76 14.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -148.56 121.09 4.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.586 0.707 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.67 30.18 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.69 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -122.27 25.14 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.561 HD23 HG23 ' A' ' 707' ' ' VAL . 1.2 tp -125.48 139.73 53.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.647 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 2.3 mt-10 -61.32 -51.97 74.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.734 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.77 -29.67 23.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . 0.561 HG23 HD23 ' A' ' 704' ' ' LEU . 24.8 t -66.77 -38.95 82.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -65.41 -46.2 80.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 67.1 m -72.79 -39.35 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 3.4 t -59.36 -29.95 68.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.05 -30.02 63.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -72.28 -48.12 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.4 pp -70.89 -39.37 72.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.669 ' HG ' HG13 ' A' ' 691' ' ' VAL . 5.0 tp -61.86 -51.12 69.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.961 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -65.14 -40.07 93.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.87 -34.03 77.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -48.08 82.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . 0.827 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -73.06 -39.39 65.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.03 -36.54 84.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 10.9 mtt85 -71.7 -42.2 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -47.0 85.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -41.02 99.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 30.3 t -66.02 -43.63 87.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -68.63 -48.89 62.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . 0.497 ' O ' HG23 ' A' ' 728' ' ' THR . 33.2 m -66.94 -27.71 67.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -36.8 66.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -102.16 37.98 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 725' ' ' CYS . 0.9 OUTLIER -59.99 178.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . 0.685 HG11 ' HB3' ' A' ' 739' ' ' PHE . 8.4 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.595 0.712 . . . . 0.0 111.176 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . 0.685 ' HB3' HG11 ' A' ' 729' ' ' VAL . 27.7 p90 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.798 0.332 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -62.71 -39.63 94.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.17 -27.83 61.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -51.23 70.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . 0.563 HG23 ' HB1' ' A' ' 672' ' ' ALA . 1.5 m -57.95 -38.54 76.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -34.57 74.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -71.04 -45.04 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . 0.733 HG11 ' CE2' ' A' ' 680' ' ' PHE . 27.2 m -66.86 -38.87 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . 0.444 HD11 HG22 ' A' ' 743' ' ' THR . 51.4 mt -65.38 -50.35 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -62.49 -45.92 90.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 52.0 m -64.97 -48.05 75.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . 0.446 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -60.26 -41.98 94.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.32 -35.9 80.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -70.23 -48.53 56.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . 0.424 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.16 -34.53 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . 0.484 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.39 -44.05 79.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -65.93 -37.75 86.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -61.01 -26.97 67.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.06 -43.58 87.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -58.91 -38.16 78.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -28.38 62.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 764' ' ' THR . 0.2 OUTLIER -78.67 -39.29 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.61 -36.48 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.3 t -70.53 -33.0 70.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.49 -41.52 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.733 HG21 HG11 ' A' ' 654' ' ' VAL . 19.5 p -69.01 -41.43 77.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 86.2 m -64.04 -48.49 76.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -67.86 -32.09 72.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.928 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.721 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.799 0.25 . . . . 0.0 112.342 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.512 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 6.6 t70 -94.05 135.22 24.86 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -49.01 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.393 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . 0.466 ' C ' HD13 ' A' ' 648' ' ' LEU . . . -110.79 -148.68 11.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.596 HD12 ' CE2' ' A' ' 698' ' ' PHE . 0.3 OUTLIER -105.74 152.81 40.23 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.563 0.697 . . . . 0.0 110.95 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.694 ' O ' HG23 ' A' ' 654' ' ' VAL . 9.6 m -123.9 119.93 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.3 m -66.13 -53.6 35.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.71 -48.59 80.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.529 ' HA ' HD21 ' A' ' 656' ' ' LEU . 3.7 t70 -50.95 -36.8 40.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.771 HG11 HG21 ' A' ' 764' ' ' THR . 78.3 t -69.29 -47.23 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.63 -52.87 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.529 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.29 -30.01 71.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 661' ' ' VAL . 1.5 mmtt -70.85 -36.96 73.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.666 HG22 ' HB1' ' A' ' 757' ' ' ALA . 0.4 OUTLIER -82.14 -44.48 16.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -57.94 -36.41 72.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 3.1 pt20 -71.78 -31.11 66.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 657' ' ' LYS . 68.5 t -63.39 -45.56 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.699 ' HA ' HD12 ' A' ' 665' ' ' ILE . 81.9 p -60.44 -37.02 79.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.5 -42.24 78.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . 0.434 ' N ' HD22 ' A' ' 664' ' ' ASN . 1.3 m-80 -62.81 -31.13 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 662' ' ' THR . 17.1 mt -72.56 -38.13 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -55.76 -34.79 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.54 -38.07 86.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.726 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.88 -38.31 73.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.532 HD21 ' CB ' ' A' ' 750' ' ' ALA . 22.7 mt -69.3 -49.18 58.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.79 -37.15 80.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.95 -30.51 68.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.417 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.89 -49.14 49.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -62.69 -37.03 84.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -81.78 -3.03 52.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 61.61 73.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -132.3 75.07 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -60.39 -29.83 69.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -71.44 -22.79 61.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.97 -6.39 54.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . 0.747 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -71.67 -37.58 70.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.565 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -54.78 -56.22 29.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.106 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.0 Cg_endo -69.76 -44.23 2.2 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.726 ' HB3' HD22 ' A' ' 668' ' ' LEU . 18.5 m -58.49 -38.89 78.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 3.2 t -74.63 -32.28 62.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.31 -47.38 50.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.2 -34.57 70.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.54 HD12 HD23 ' A' ' 668' ' ' LEU . 58.4 mt -68.32 -37.5 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -64.51 -36.8 85.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.3 mt -56.88 -50.38 72.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.611 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -58.97 -36.48 74.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.762 HG21 ' HB2' ' A' ' 718' ' ' ALA . 94.6 t -66.32 -51.36 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 96.5 m -66.54 -41.68 88.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.98 -41.64 88.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . 0.466 ' HE2' HG13 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -65.25 -49.96 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -60.34 -36.31 77.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -36.21 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.433 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -65.69 -21.95 66.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.596 ' CE2' HD12 ' A' ' 648' ' ' LEU . 47.8 m-85 -86.58 150.88 52.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.653 0.739 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.79 36.97 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.627 2.218 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -9.75 57.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.51 90.06 6.64 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 154.36 67.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.721 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -112.61 15.21 20.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.446 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.3 OUTLIER -111.78 137.26 49.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.655 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 17.4 mt-10 -62.01 -51.77 72.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.667 0.746 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.5 Cg_endo -69.71 -28.41 25.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 18.4 t -67.12 -38.21 80.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -66.16 -45.33 81.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 2.3 t -75.11 -35.07 61.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 9.8 t -58.74 -36.0 73.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.29 -29.82 68.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -72.74 -48.42 38.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.3 pp -71.79 -40.59 69.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.724 ' HG ' HG13 ' A' ' 691' ' ' VAL . 4.6 tp -60.5 -51.26 70.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -65.16 -41.05 95.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.05 -33.79 76.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.068 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -48.18 81.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . 0.762 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -71.59 -30.16 65.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -38.49 71.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -72.04 -45.15 61.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -47.17 86.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -62.31 -43.61 98.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 10.0 t -66.32 -38.56 87.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -69.11 -49.5 56.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . 0.573 ' O ' HG23 ' A' ' 728' ' ' THR . 66.7 m -69.39 -27.61 65.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -53.6 -36.67 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -106.5 45.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 725' ' ' CYS . 1.4 p -66.88 -177.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 111.122 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 50.1 p90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -55.12 -57.2 12.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 53.9 mt -61.96 -27.63 68.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -51.01 71.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . 0.453 HG22 HD11 ' A' ' 747' ' ' ILE . 1.5 m -64.84 -36.4 84.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -69.69 -34.81 74.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -70.4 -45.14 66.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . 0.747 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.8 m -66.75 -38.71 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . 0.453 HD11 HG22 ' A' ' 743' ' ' THR . 53.6 mt -66.13 -50.08 71.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -62.56 -44.06 97.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 6.3 t -66.97 -48.31 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . 0.532 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -59.05 -44.04 91.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -67.67 -35.61 79.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -67.59 -48.58 66.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . 0.409 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.24 -34.64 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . 0.57 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.71 -44.21 78.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -65.05 -31.75 73.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.85 -27.05 67.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . 0.666 ' HB1' HG22 ' A' ' 658' ' ' THR . . . -67.99 -29.61 68.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . 0.46 ' HA ' HG12 ' A' ' 761' ' ' VAL . 1.5 mmmm -67.28 -37.77 83.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -33.92 62.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . 0.648 ' O ' HG23 ' A' ' 764' ' ' THR . 0.3 OUTLIER -78.43 -36.16 45.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.46 HG12 ' HA ' ' A' ' 758' ' ' LYS . 9.6 p -74.3 -32.17 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.5 t -77.52 -34.82 53.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.78 -40.44 85.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.771 HG21 HG11 ' A' ' 654' ' ' VAL . 44.4 p -69.1 -41.47 77.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 95.2 m -65.98 -48.86 69.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.168 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -63.57 -32.97 74.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.702 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.744 0.227 . . . . 0.0 112.365 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.51 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.1 t70 -98.07 136.94 20.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.34 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -117.03 -143.8 7.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.871 HD13 HG21 ' A' ' 654' ' ' VAL . 0.6 OUTLIER -104.5 151.12 39.14 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.548 0.69 . . . . 0.0 110.935 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -51.62 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.662 2.241 . . . . 0.0 112.32 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.719 ' O ' HG23 ' A' ' 654' ' ' VAL . 5.6 m -124.15 121.39 34.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.8 m -64.56 -53.13 52.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . 0.448 ' OE2' HD23 ' A' ' 656' ' ' LEU . 0.2 OUTLIER -58.56 -48.12 81.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.539 ' HA ' HD21 ' A' ' 656' ' ' LEU . 4.8 t0 -51.79 -36.41 47.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.871 HG21 HD13 ' A' ' 648' ' ' LEU . 93.3 t -69.16 -47.08 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.61 -52.71 50.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.63 -30.02 71.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.745 ' O ' HG23 ' A' ' 661' ' ' VAL . 4.4 mmtp -70.79 -36.83 73.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.668 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.33 -44.39 16.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.82 -36.36 72.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 13.0 pt20 -71.93 -31.27 66.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 657' ' ' LYS . 67.2 t -62.79 -46.72 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.662 ' HA ' HD12 ' A' ' 665' ' ' ILE . 75.6 p -58.96 -37.53 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.47 -42.23 79.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -60.79 -35.22 75.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 662' ' ' THR . 14.1 mt -70.44 -40.5 77.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -33.88 65.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.67 -35.58 76.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.42 -40.1 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.09 -49.61 49.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -58.78 -36.61 74.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.95 -33.71 74.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.726 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.45 -49.34 42.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -59.91 -20.72 58.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -100.69 11.52 39.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 54.97 65.47 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -129.34 81.62 2.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -64.51 -37.81 88.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.55 -23.09 63.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 34.5 m -75.46 -14.36 60.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -72.16 -38.19 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.538 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -52.14 -57.09 16.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.2 Cg_endo -69.82 -43.11 2.8 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.721 ' HB3' HD22 ' A' ' 668' ' ' LEU . 10.4 m -58.1 -32.16 67.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 4.8 p -75.26 -32.48 61.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.11 -48.16 58.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -58.31 -37.5 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 691' ' ' VAL . 60.3 mt -67.2 -37.37 79.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -63.18 -37.17 86.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.95 -50.08 74.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.619 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.74 -36.48 83.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.767 HG13 ' HG ' ' A' ' 714' ' ' LEU . 87.6 t -68.24 -51.55 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 61.6 m -67.17 -43.16 82.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.03 -37.89 81.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -49.74 68.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -67.18 -36.53 81.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 1.9 m -55.59 -38.46 69.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.458 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.8 -20.53 65.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.548 ' CE1' HD22 ' A' ' 648' ' ' LEU . 69.2 m-85 -102.2 153.69 37.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.676 0.75 . . . . 0.0 110.87 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.22 66.65 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.367 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -15.3 59.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.6 84.46 45.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.639 0.733 . . . . 0.0 110.846 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 163.8 36.9 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.27 . . . . 0.0 112.322 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.702 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.72 20.05 17.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.436 HD13 ' CG2' ' A' ' 707' ' ' VAL . 0.6 OUTLIER -114.04 136.29 53.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.66 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 10.1 mt-10 -62.03 -51.54 74.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.731 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.3 Cg_endo -69.72 -28.68 25.13 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . 0.436 ' CG2' HD13 ' A' ' 704' ' ' LEU . 24.4 t -67.75 -35.36 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -65.41 -46.53 79.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.1 m -75.46 -40.54 57.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . 0.697 ' OG ' HD23 ' A' ' 760' ' ' LEU . 24.4 t -59.3 -28.64 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.35 -27.69 59.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -72.93 -40.7 65.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.708 HD13 ' HB1' ' A' ' 756' ' ' ALA . 4.0 pp -75.91 -33.0 59.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.767 ' HG ' HG13 ' A' ' 691' ' ' VAL . 2.2 tp -67.21 -50.91 59.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -63.35 -44.71 94.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -66.71 -34.3 77.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 2.4 m -62.94 -47.51 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . 0.405 ' HB2' HG11 ' A' ' 691' ' ' VAL . . . -67.32 -30.76 70.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -76.65 -38.09 55.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -38.53 70.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -47.16 86.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -34.89 79.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -43.17 93.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -69.15 -49.02 60.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . 0.51 ' O ' HG23 ' A' ' 728' ' ' THR . 62.5 m -65.91 -27.9 68.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 20.0 tpp85 -57.99 -36.97 73.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . 0.489 ' O ' HD21 ' A' ' 742' ' ' LEU . 0.3 OUTLIER -98.39 69.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.548 HG22 HD12 ' A' ' 742' ' ' LEU . 12.0 p -110.69 -178.03 3.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 111.096 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 2.0 p90 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.817 0.341 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -71.17 -53.45 14.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -27.68 69.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.548 HD12 HG22 ' A' ' 728' ' ' THR . 0.6 OUTLIER -58.89 -50.97 72.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . 0.726 HG23 ' HB1' ' A' ' 672' ' ' ALA . 2.7 m -61.24 -36.79 80.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.6 -34.86 74.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.31 -45.29 66.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.6 m -66.63 -38.83 82.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . 0.469 HD11 HG22 ' A' ' 743' ' ' THR . 49.3 mt -64.16 -45.95 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -61.96 -46.22 90.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 77.5 m -65.2 -48.15 74.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.06 92.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -67.98 -35.51 78.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -67.49 -48.45 67.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . 0.525 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -65.81 -34.82 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.41 -39.01 85.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -68.58 -41.52 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . 0.708 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -61.76 -28.38 69.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.84 75.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . 0.406 ' HA ' HG12 ' A' ' 761' ' ' VAL . 4.9 mtpt -58.86 -38.19 78.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -73.01 -28.3 62.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . 0.697 HD23 ' OG ' ' A' ' 710' ' ' SER . 0.5 OUTLIER -78.64 -39.57 36.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.668 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.1 p -71.31 -37.01 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.3 t -69.79 -32.83 71.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.38 -38.72 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.697 HG21 HG11 ' A' ' 654' ' ' VAL . 16.1 p -67.38 -43.66 80.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.9 m -66.24 -49.13 68.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -22.55 62.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.649 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.769 0.237 . . . . 0.0 112.355 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.8 OUTLIER -97.78 137.11 20.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.871 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -49.19 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -105.21 -145.09 13.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.904 HD13 HG21 ' A' ' 654' ' ' VAL . 1.1 mt -118.74 154.62 52.81 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.633 0.73 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -51.78 0.36 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.672 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.3 m -124.18 120.41 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 5.0 m -66.23 -52.73 44.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.77 -48.4 79.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.1 m-20 -50.76 -36.13 35.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.904 HG21 HD13 ' A' ' 648' ' ' LEU . 98.8 t -69.52 -46.88 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.61 -52.81 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.6 pp -64.17 -30.34 71.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.737 ' O ' HG23 ' A' ' 661' ' ' VAL . 5.7 mmtp -70.86 -36.59 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -44.39 16.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -57.86 -36.37 72.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.73 -31.14 66.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 657' ' ' LYS . 69.5 t -63.25 -46.63 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.667 ' HA ' HD12 ' A' ' 665' ' ' ILE . 68.7 p -58.98 -37.27 76.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.3 -42.94 78.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -60.72 -35.11 75.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.2 mt -69.37 -37.89 76.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -59.18 -34.43 72.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.19 -37.91 84.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.03 -38.68 72.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.471 HD21 ' CE1' ' A' ' 751' ' ' TYR . 10.2 mp -68.52 -49.3 60.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -60.35 -37.31 80.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -71.08 -30.35 66.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.509 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.01 -49.07 49.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -63.32 -37.74 88.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -80.91 -2.98 49.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 61.38 74.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -132.12 72.37 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.0 -32.1 63.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -22.24 61.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 23.7 m -89.85 -7.13 55.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . 0.73 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.2 m-85 -72.23 -38.26 68.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.568 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -53.44 -56.36 25.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.9 Cg_endo -69.75 -44.37 2.12 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.72 ' HB3' HD22 ' A' ' 668' ' ' LEU . 16.9 m -58.48 -37.36 75.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 3.3 t -75.35 -32.44 60.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -73.17 -46.9 48.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -57.5 -34.84 69.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 691' ' ' VAL . 59.4 mt -67.51 -37.5 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -64.95 -37.43 87.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.3 mt -57.57 -47.68 81.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.617 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.63 -36.5 82.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.052 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.673 HG13 ' HG ' ' A' ' 714' ' ' LEU . 88.9 t -69.32 -51.38 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.15 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 87.9 m -66.46 -43.0 86.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.03 -38.99 80.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . 0.525 ' HE1' HG13 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -65.22 -49.8 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.06 79.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 2.4 t -55.35 -35.87 65.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.449 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -66.44 -21.03 66.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.583 ' CE2' HD22 ' A' ' 648' ' ' LEU . 46.9 m-85 -87.84 158.36 50.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 166.22 28.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -30.12 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -148.02 119.34 4.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.67 0.748 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 166.37 27.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -122.24 26.47 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.405 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.7 OUTLIER -125.9 139.89 53.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.637 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 6.9 mt-10 -61.35 -52.76 68.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.703 0.763 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.76 -28.32 25.41 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 32.0 t -68.33 -37.77 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -44.89 87.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.06 -41.62 58.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.828 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . 0.442 ' HA ' HD21 ' A' ' 713' ' ' LEU . 15.2 t -59.78 -38.69 82.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 5.9 tp -76.21 -28.57 57.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -72.75 -39.91 66.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.0 pp -75.97 -32.59 59.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.673 ' HG ' HG13 ' A' ' 691' ' ' VAL . 7.4 tp -63.2 -51.05 67.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -64.94 -40.99 95.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.94 76.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 1.7 p -69.33 -44.01 72.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -64.86 -38.4 90.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -36.65 76.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -71.96 -45.95 59.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -47.17 87.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.2 -41.26 99.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 26.0 m -66.21 -38.96 89.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.04 -49.35 58.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . 0.498 ' O ' HG23 ' A' ' 728' ' ' THR . 87.5 m -69.13 -28.06 66.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -36.95 63.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -102.16 48.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 725' ' ' CYS . 1.1 p -76.96 178.63 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.734 . . . . 0.0 111.157 179.882 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 23.5 p90 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.764 0.316 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -68.83 -51.71 37.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.88 -27.66 68.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -50.86 72.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . 0.509 HG23 ' HB1' ' A' ' 672' ' ' ALA . 2.0 m -57.94 -37.76 74.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -69.59 -34.78 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -70.52 -45.1 66.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . 0.73 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.3 m -66.81 -38.65 81.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . 0.477 HD11 HG22 ' A' ' 743' ' ' THR . 52.9 mt -65.83 -48.67 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -62.17 -46.09 90.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 7.6 t -66.37 -46.64 76.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . 0.481 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -63.16 -41.93 99.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . 0.471 ' CE1' HD21 ' A' ' 669' ' ' LEU . 4.5 m-85 -67.22 -35.86 80.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -69.32 -48.32 61.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . 0.534 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.26 -34.71 71.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.45 -44.19 79.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -66.35 -36.05 81.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.01 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.35 -30.8 71.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . 0.411 ' HA ' HG12 ' A' ' 761' ' ' VAL . 17.1 mtpt -67.0 -39.71 87.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.07 -31.38 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 28.7 tp -78.86 -37.64 39.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 758' ' ' LYS . 7.2 p -73.19 -32.23 37.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.2 t -77.18 -35.27 56.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.42 -41.91 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.607 HG22 HD11 ' A' ' 648' ' ' LEU . 69.9 p -68.47 -41.91 79.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 97.5 m -66.13 -49.1 68.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -23.72 61.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.668 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.75 0.229 . . . . 0.0 112.377 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 4.1 t70 -93.66 134.8 25.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.651 0.738 . . . . 0.0 110.828 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . 0.687 ' O ' HD13 ' A' ' 704' ' ' LEU . 53.9 Cg_endo -69.77 -49.37 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -108.79 -154.09 16.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.482 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.601 HD12 ' CE2' ' A' ' 698' ' ' PHE . 0.3 OUTLIER -100.1 152.52 37.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.623 0.725 . . . . 0.0 110.881 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -51.58 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 654' ' ' VAL . 0.6 OUTLIER -124.16 120.41 32.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.69 -53.47 40.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.49 -48.06 82.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.525 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.0 OUTLIER -51.7 -37.19 49.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.736 HG11 HG21 ' A' ' 764' ' ' THR . 84.2 t -68.83 -47.18 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.21 -52.46 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -65.16 -30.45 71.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.741 ' O ' HG23 ' A' ' 661' ' ' VAL . 5.1 mmtp -71.04 -36.9 72.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.657 HG21 ' HB ' ' A' ' 761' ' ' VAL . 1.0 OUTLIER -82.12 -44.37 16.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -57.97 -36.45 72.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.81 -30.83 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.799 HG22 ' HB1' ' A' ' 690' ' ' ALA . 69.2 t -64.27 -46.05 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.711 ' HA ' HD12 ' A' ' 665' ' ' ILE . 81.9 p -59.69 -35.87 75.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.2 -45.31 73.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -60.64 -31.99 71.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.2 mt -72.21 -39.63 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -34.66 68.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -61.63 -36.68 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.07 -38.76 72.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.81 -49.25 63.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -60.69 -37.41 81.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.71 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.49 -46.28 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -67.2 -25.48 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -92.32 12.06 23.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 52.38 61.33 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -127.25 70.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -58.73 -31.41 68.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -69.87 -28.61 65.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.08 -6.16 49.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . 0.43 ' CD2' HG11 ' A' ' 746' ' ' VAL . 14.4 m-30 -71.62 -35.22 70.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.551 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.89 -56.77 26.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.727 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.79 -44.22 2.18 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.262 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.715 ' HB3' HD22 ' A' ' 668' ' ' LEU . 27.6 m -60.46 -34.49 74.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 9.6 t -75.35 -32.36 60.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -70.24 -47.71 60.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.11 -36.73 73.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.497 HD12 HD23 ' A' ' 668' ' ' LEU . 56.4 mt -67.18 -37.57 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -63.84 -36.79 85.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -57.31 -50.26 73.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.799 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -59.69 -36.58 76.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.764 HG13 ' HG ' ' A' ' 714' ' ' LEU . 91.5 t -65.33 -51.78 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 43.1 m -67.31 -42.13 84.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.47 -44.39 97.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.16 -50.01 67.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.53 83.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 31.3 t -56.19 -36.6 68.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -63.53 -22.84 67.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.601 ' CE2' HD12 ' A' ' 648' ' ' LEU . 47.1 m-85 -85.89 149.24 50.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 153.5 68.73 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.739 2.292 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -17.42 55.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.19 88.73 25.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.699 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 162.55 41.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.668 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -119.51 14.71 12.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.077 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 646' ' ' PRO . 1.2 tp -112.98 139.06 48.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.651 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 4.7 mt-10 -61.62 -51.62 75.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.686 0.755 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.1 Cg_endo -69.71 -29.52 23.97 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.634 2.223 . . . . 0.0 112.359 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . 0.573 HG23 HD23 ' A' ' 704' ' ' LEU . 21.8 t -66.44 -38.77 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -66.02 -46.11 79.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 38.7 m -73.65 -35.73 65.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 48.5 t -58.94 -35.12 72.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -29.79 68.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -72.64 -48.29 40.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.3 pp -71.73 -40.45 69.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.764 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.2 tp -62.27 -51.14 68.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -63.97 -41.39 97.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.09 -33.8 76.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 5.8 m -61.84 -48.2 81.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . 0.639 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -65.81 -31.13 71.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -77.11 -34.52 56.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -71.4 -43.15 67.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -41.59 92.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.85 -36.78 70.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -37.59 85.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -68.18 -49.39 61.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 728' ' ' THR . 8.7 p -66.46 -26.86 67.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -66.15 -37.69 86.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . 0.611 ' O ' HD11 ' A' ' 742' ' ' LEU . 3.9 mtmt -108.81 75.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 725' ' ' CYS . 52.2 p -102.95 -176.79 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 729' ' ' VAL . 13.7 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 0.0 111.179 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . 0.435 ' HB3' HG11 ' A' ' 729' ' ' VAL . 22.1 p90 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.811 0.338 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -63.61 -43.67 96.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.684 HD12 HE21 ' A' ' 745' ' ' GLN . 0.3 OUTLIER -68.69 -28.94 67.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.611 HD11 ' O ' ' A' ' 727' ' ' LYS . 2.2 mm? -67.92 -50.3 56.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -37.21 73.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -69.55 -35.23 75.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . 0.684 HE21 HD12 ' A' ' 741' ' ' LEU . 35.3 mt-30 -70.02 -45.3 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . 0.43 HG11 ' CD2' ' A' ' 680' ' ' PHE . 21.2 m -66.57 -38.81 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.63 -50.02 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.85 -46.45 89.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 95.7 m -64.83 -43.6 92.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.88 93.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.67 -35.66 79.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.11 -48.41 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -34.47 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . 0.527 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.5 -43.98 79.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -70.63 -36.84 73.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -61.06 -27.16 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.88 -37.54 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -58.81 -38.06 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -28.47 62.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 764' ' ' THR . 0.4 OUTLIER -78.57 -39.46 37.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.657 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.3 p -71.4 -36.91 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.4 t -70.04 -32.94 71.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.42 -39.3 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.736 HG21 HG11 ' A' ' 654' ' ' VAL . 19.2 p -69.08 -42.45 76.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 97.1 m -66.16 -49.09 68.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -24.99 62.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.689 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.788 0.245 . . . . 0.0 112.37 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.552 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 6.1 t70 -92.38 132.51 31.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . 0.596 ' O ' HD13 ' A' ' 704' ' ' LEU . 53.7 Cg_endo -69.75 -49.32 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -115.28 -151.96 10.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.819 HD13 HG21 ' A' ' 654' ' ' VAL . 0.3 OUTLIER -106.16 152.8 40.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.739 . . . . 0.0 110.898 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -51.51 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.702 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.0 m -124.04 120.75 33.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.11 -53.16 49.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -58.63 -48.1 82.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.488 ' HA ' HD21 ' A' ' 656' ' ' LEU . 22.4 m-20 -51.47 -35.95 42.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.819 HG21 HD13 ' A' ' 648' ' ' LEU . 95.9 t -70.23 -47.09 69.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.01 -53.38 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.488 HD21 ' HA ' ' A' ' 653' ' ' ASP . 4.5 pp -63.97 -29.09 70.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.736 ' O ' HG23 ' A' ' 661' ' ' VAL . 3.2 mmtt -70.77 -36.98 73.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.584 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.48 -44.56 15.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -57.64 -36.2 71.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 3.0 pt20 -71.61 -30.6 65.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 657' ' ' LYS . 76.6 t -63.17 -46.7 95.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.691 ' HA ' HD12 ' A' ' 665' ' ' ILE . 79.3 p -59.55 -37.21 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.29 -43.98 76.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -60.82 -31.99 71.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 662' ' ' THR . 17.3 mt -72.06 -37.99 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -34.53 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.22 -35.85 78.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.21 -38.11 72.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 669' ' ' LEU . 4.3 mm? -68.3 -49.23 61.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -60.6 -37.42 81.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.45 73.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.75 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.22 -49.14 46.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.97 -25.72 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -91.01 9.04 32.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 56.58 61.37 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -129.51 63.61 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -54.78 -31.59 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -69.41 -27.92 65.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -6.12 49.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . 0.762 ' CD2' HG11 ' A' ' 746' ' ' VAL . 14.3 m-30 -71.07 -34.79 71.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.551 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -56.4 -57.12 25.07 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.623 0.725 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.1 Cg_endo -69.78 -44.31 2.14 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.624 2.216 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.716 ' HB3' HD22 ' A' ' 668' ' ' LEU . 28.3 m -59.98 -33.3 71.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . 0.405 ' HA ' HD12 ' A' ' 687' ' ' ILE . 58.5 m -75.71 -35.06 60.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -65.55 -48.31 72.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -35.77 71.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.455 ' O ' HG23 ' A' ' 691' ' ' VAL . 53.3 mt -68.62 -37.05 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . 0.447 ' CD2' ' HB1' ' A' ' 718' ' ' ALA . 20.2 m170 -64.36 -36.2 83.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.0 -49.97 74.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.709 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.46 -36.07 81.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.712 HG13 ' HG ' ' A' ' 714' ' ' LEU . 99.2 t -68.92 -51.61 42.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 58.8 m -66.99 -42.03 85.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.71 -37.84 83.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 2.6 ttp -65.2 -50.2 66.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -67.48 -36.98 82.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 44.0 t -55.94 -37.42 68.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.492 HD11 ' CE1' ' A' ' 698' ' ' PHE . 0.5 OUTLIER -62.61 -20.78 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.571 ' CZ ' HD22 ' A' ' 648' ' ' LEU . 65.5 m-85 -102.77 154.49 37.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.655 0.74 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 157.23 61.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -14.14 51.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -126.75 88.92 53.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 160.25 50.4 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.689 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -113.41 1.28 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 646' ' ' PRO . 1.1 tp -99.67 137.99 37.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.662 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.5 mt-10 -61.82 -51.07 78.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.674 0.749 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.81 -29.59 23.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . 0.575 HG23 HD23 ' A' ' 704' ' ' LEU . 19.9 t -66.26 -36.24 76.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -65.82 -46.17 79.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 63.3 m -74.49 -40.37 61.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 79.7 p -59.31 -33.37 71.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -29.17 68.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 6.3 mtp85 -72.64 -48.38 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.0 pp -72.67 -42.22 64.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.712 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.1 tp -55.88 -51.44 67.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -65.38 -38.11 89.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.74 -33.3 75.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.31 -40.03 92.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.818 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 688' ' ' HIS . . . -73.02 -42.07 63.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.97 -46.13 82.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -59.9 -46.16 90.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -37.46 79.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -44.1 76.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 33.9 t -66.25 -37.96 86.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -67.51 -49.29 64.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . 0.536 ' O ' HG23 ' A' ' 728' ' ' THR . 10.9 p -69.13 -26.82 65.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -48.75 73.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . 0.607 ' O ' HD21 ' A' ' 742' ' ' LEU . 0.0 OUTLIER -97.3 76.05 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 725' ' ' CYS . 53.1 p -107.14 -175.59 2.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 111.138 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 51.0 p90 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.8 0.333 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -54.83 -41.53 70.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.21 -34.31 63.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.607 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.3 OUTLIER -58.95 -51.17 71.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . 0.75 HG23 ' HB1' ' A' ' 672' ' ' ALA . 0.7 OUTLIER -62.64 -36.48 82.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -34.99 75.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -70.21 -45.49 66.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . 0.762 HG11 ' CD2' ' A' ' 680' ' ' PHE . 21.9 m -66.49 -38.84 82.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.0 mt -65.0 -49.75 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -58.6 -46.42 87.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 83.9 m -63.7 -47.98 78.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . 0.617 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -61.79 -41.87 98.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -67.32 -35.67 79.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -68.83 -48.23 64.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -65.74 -34.61 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.41 -44.18 79.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -41.73 94.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . 0.457 ' HB1' ' CD1' ' A' ' 713' ' ' LEU . . . -60.98 -27.07 68.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -69.06 -38.2 78.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . 0.402 ' HA ' HG12 ' A' ' 761' ' ' VAL . 2.9 mtpp -58.96 -37.99 78.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -72.9 -28.37 62.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 764' ' ' THR . 0.2 OUTLIER -78.53 -39.62 37.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.584 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.1 p -71.28 -37.01 64.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.2 t -69.82 -32.65 71.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.1 mm -66.39 -38.84 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.777 HG21 HG11 ' A' ' 654' ' ' VAL . 18.4 p -67.89 -43.37 79.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.2 m -66.21 -49.04 68.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -23.39 62.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.717 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.773 0.239 . . . . 0.0 112.372 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.563 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 6.2 t0 -88.61 127.83 54.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.2 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -131.35 51.88 0.84 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.545 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.718 HD11 HG22 ' A' ' 764' ' ' THR . 0.5 OUTLIER 64.33 152.53 0.12 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.728 . . . . 0.0 110.894 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 -51.79 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.712 ' O ' HG23 ' A' ' 654' ' ' VAL . 5.3 m -124.07 120.96 33.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.29 -53.13 48.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -58.29 -48.2 81.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.528 ' HA ' HD21 ' A' ' 656' ' ' LEU . 3.8 t0 -51.58 -36.42 45.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 1.041 HG11 HG21 ' A' ' 764' ' ' THR . 95.7 t -69.32 -46.78 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.47 -52.75 48.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.7 pp -64.17 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.748 ' O ' HG23 ' A' ' 661' ' ' VAL . 3.0 mmtp -71.0 -36.04 72.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.506 HG21 ' HB ' ' A' ' 761' ' ' VAL . 1.0 OUTLIER -81.75 -44.27 17.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -57.74 -36.72 72.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -71.76 -30.82 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 657' ' ' LYS . 66.3 t -63.89 -46.24 94.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.706 ' HA ' HD12 ' A' ' 665' ' ' ILE . 82.0 p -59.42 -36.5 76.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.42 -44.11 75.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -60.87 -31.69 71.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.706 HD12 ' HA ' ' A' ' 662' ' ' THR . 18.1 mt -71.87 -37.75 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -33.2 67.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.0 -37.6 80.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.64 -38.55 73.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 669' ' ' LEU . 4.1 mm? -67.43 -48.98 65.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -61.61 -37.43 83.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.05 -33.47 75.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.98 -49.08 49.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -62.55 -32.85 73.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -88.06 -2.91 58.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 62.02 76.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -134.42 69.31 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -56.04 -30.72 62.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.49 -22.71 61.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . 0.414 ' C ' ' HD2' ' A' ' 682' ' ' PRO . 3.4 t -92.3 -4.77 53.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . 0.741 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -71.57 -30.93 66.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.576 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.4 t -62.57 -55.54 38.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.77 -41.4 4.3 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.738 ' HB3' HD22 ' A' ' 668' ' ' LEU . 12.9 m -58.5 -41.32 85.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . 0.477 ' HA ' HD12 ' A' ' 687' ' ' ILE . 1.5 t -74.86 -32.38 61.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -69.91 -47.66 61.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -58.21 -33.42 69.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 684' ' ' SER . 53.8 mt -68.46 -37.66 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -65.43 -36.95 85.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.802 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.84 -46.1 81.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.544 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.35 -36.59 84.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.623 HG13 ' HG ' ' A' ' 714' ' ' LEU . 90.6 t -68.62 -51.34 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 37.3 m -67.05 -43.89 81.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.14 -39.89 83.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -50.85 64.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -57.59 -36.59 71.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.02 -31.08 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -27.57 65.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.654 ' CE2' HD23 ' A' ' 648' ' ' LEU . 46.2 m-85 -74.06 154.78 88.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.688 0.756 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 178.13 4.83 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.74 2.294 . . . . 0.0 112.341 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -13.26 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -161.23 117.05 1.34 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 157.5 60.29 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.717 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -110.82 0.09 17.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.72 138.6 36.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.653 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.3 mt-10 -62.43 -51.68 71.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.661 0.743 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.1 Cg_endo -69.77 -28.51 25.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.7 -34.55 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -65.47 -46.91 77.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 21.3 m -75.93 -38.62 57.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . 0.72 ' OG ' HD23 ' A' ' 760' ' ' LEU . 33.1 t -59.11 -30.09 67.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.02 -30.26 63.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -72.34 -48.29 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.3 pp -70.79 -40.21 72.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.623 ' HG ' HG13 ' A' ' 691' ' ' VAL . 4.6 tp -56.06 -51.06 69.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -41.25 94.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.28 -33.78 76.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -48.07 82.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . 0.586 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -67.64 -29.95 69.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -72.11 -46.01 58.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -45.54 94.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -39.29 85.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -47.1 80.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -39.0 89.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -69.15 -49.12 59.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 728' ' ' THR . 7.4 m -69.07 -27.93 66.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -59.09 -36.79 75.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -99.73 70.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 725' ' ' CYS . 3.8 p -101.08 -179.48 4.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.645 0.736 . . . . 0.0 111.149 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 52.4 p90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.827 0.346 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.07 -49.64 42.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 2.9 tp -61.85 -27.63 68.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.65 -39.8 81.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . 0.409 HG23 ' HB1' ' A' ' 672' ' ' ALA . 0.7 OUTLIER -72.91 -35.93 67.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -70.01 -34.53 73.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -70.88 -45.28 64.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . 0.741 HG11 ' CE2' ' A' ' 680' ' ' PHE . 23.6 m -65.9 -39.04 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 56.0 mt -66.15 -50.5 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -62.88 -44.23 96.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 59.5 m -66.38 -48.44 70.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . 0.405 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -58.87 -47.0 86.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -68.15 -35.07 77.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.77 -49.55 72.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -34.89 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . 0.59 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.52 -44.15 79.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -65.72 -39.94 91.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.92 67.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.23 -33.03 71.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -58.7 -38.52 78.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.92 -28.42 62.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . 0.72 HD23 ' OG ' ' A' ' 710' ' ' SER . 0.5 OUTLIER -78.65 -39.77 36.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.506 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.4 p -71.07 -36.68 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.7 t -70.48 -33.54 71.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.6 mm -66.79 -38.75 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 1.041 HG21 HG11 ' A' ' 654' ' ' VAL . 20.7 p -68.96 -41.11 78.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 91.4 m -65.85 -49.14 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -63.35 -34.18 77.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.644 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.779 0.241 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.9 OUTLIER -98.3 137.59 20.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.578 0.704 . . . . 0.0 110.867 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -110.59 -144.49 10.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.675 HD22 HG21 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -112.3 152.51 44.54 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.71 . . . . 0.0 110.935 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.58 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.709 2.272 . . . . 0.0 112.351 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.653 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.6 m -123.66 120.5 32.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.61 -53.24 44.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.88 -47.92 81.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.537 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.5 t70 -51.5 -37.2 48.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.728 HG11 HG21 ' A' ' 764' ' ' THR . 92.4 t -69.12 -47.11 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.79 -52.53 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.537 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.6 pp -64.79 -30.37 71.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.734 ' O ' HG23 ' A' ' 661' ' ' VAL . 6.3 mmtm -71.06 -36.73 72.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.552 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.6 OUTLIER -82.16 -44.37 16.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.75 -36.45 72.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -71.79 -30.97 66.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 657' ' ' LYS . 69.2 t -63.94 -44.71 98.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.684 ' HA ' HD12 ' A' ' 665' ' ' ILE . 66.4 p -61.28 -36.99 81.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.38 -43.72 76.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -60.64 -34.28 74.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 662' ' ' THR . 16.3 mt -69.41 -40.4 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -56.62 -34.67 67.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -61.32 -36.21 79.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.704 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.24 -38.02 71.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.465 HD21 ' HB3' ' A' ' 750' ' ' ALA . 22.2 mt -69.44 -49.26 56.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.38 -37.27 80.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.49 -31.26 72.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.781 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.57 -49.34 41.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -63.78 -20.21 65.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -94.47 7.23 46.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 58.47 55.47 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -123.71 81.11 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -64.69 -38.06 89.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -69.24 -25.28 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 20.1 m -70.98 -13.5 62.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . 0.546 ' CD2' HG11 ' A' ' 746' ' ' VAL . 18.8 m-30 -71.55 -35.67 70.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.545 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -54.73 -57.41 19.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.612 0.72 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.0 Cg_endo -69.75 -44.45 2.08 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.704 ' HB3' HD22 ' A' ' 668' ' ' LEU . 24.5 m -60.05 -33.35 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . 0.403 ' OG ' HD22 ' A' ' 721' ' ' LEU . 7.9 m -74.79 -32.72 62.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.91 -46.99 64.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -58.2 -34.82 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 691' ' ' VAL . 51.0 mt -69.18 -37.84 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . 0.412 ' ND1' ' HB1' ' A' ' 718' ' ' ALA . 7.2 m-70 -63.35 -36.1 82.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.2 mt -56.45 -49.1 75.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.675 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.18 -36.72 84.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.742 HG13 ' HG ' ' A' ' 714' ' ' LEU . 99.7 t -67.68 -51.65 48.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 68.0 m -67.3 -44.34 79.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.65 -38.33 81.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -50.0 67.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.7 75.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 37.4 t -55.8 -37.52 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.78 -20.84 65.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.631 ' CE1' HD23 ' A' ' 648' ' ' LEU . 89.2 m-85 -89.5 155.83 48.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.711 0.767 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.71 26.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -29.88 14.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -147.59 121.82 5.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 165.2 31.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.639 2.226 . . . . 0.0 112.351 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.644 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -120.32 25.05 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.432 HD13 HG23 ' A' ' 707' ' ' VAL . 0.6 OUTLIER -127.58 141.81 51.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.622 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.1 mp0 -61.86 -53.17 62.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.656 0.741 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.81 -34.48 14.33 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.223 . . . . 0.0 112.328 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . 0.432 HG23 HD13 ' A' ' 704' ' ' LEU . 24.7 t -59.23 -36.81 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -65.09 -46.2 82.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -42.09 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . 0.444 ' HA ' HD21 ' A' ' 713' ' ' LEU . 1.2 t -59.64 -38.38 81.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.825 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 5.0 tp -76.02 -29.09 58.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -72.71 -40.03 66.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.675 HD13 ' HB1' ' A' ' 756' ' ' ALA . 4.1 pp -76.01 -32.84 59.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.742 ' HG ' HG13 ' A' ' 691' ' ' VAL . 10.5 tp -59.34 -51.21 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -65.23 -38.96 92.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.2 -33.75 76.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -37.56 84.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . 0.412 ' HB1' ' ND1' ' A' ' 688' ' ' HIS . . . -72.68 -37.82 67.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.094 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -64.96 -46.0 83.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -63.67 -46.16 86.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . 0.403 HD22 ' OG ' ' A' ' 684' ' ' SER . 0.3 OUTLIER -59.85 -38.42 82.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -39.98 73.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 28.6 t -66.14 -37.84 86.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -66.94 -49.43 65.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . 0.561 ' O ' HG23 ' A' ' 728' ' ' THR . 11.5 p -69.18 -26.79 65.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -48.81 74.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . 0.529 ' O ' HD21 ' A' ' 742' ' ' LEU . 0.0 OUTLIER -98.69 76.19 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 725' ' ' CYS . 52.2 p -105.38 -176.0 2.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 111.113 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 16.2 p90 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.855 0.359 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -65.25 -43.08 92.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.01 -35.53 64.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.529 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.4 OUTLIER -59.03 -50.86 72.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . 0.781 HG23 ' HB1' ' A' ' 672' ' ' ALA . 4.6 m -59.68 -34.23 72.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -69.36 -35.32 75.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -69.57 -45.15 69.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . 0.546 HG11 ' CD2' ' A' ' 680' ' ' PHE . 22.0 m -67.47 -38.74 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . 0.587 HD11 HG22 ' A' ' 743' ' ' THR . 58.5 mt -67.19 -50.07 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -60.23 -46.18 90.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 2.9 t -62.18 -48.18 81.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . 0.637 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -61.6 -41.79 97.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -67.63 -35.68 79.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -68.74 -48.08 64.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -34.48 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . 0.492 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.24 -43.86 80.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -73.47 -34.26 65.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . 0.675 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -63.01 -26.97 69.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -73.82 -26.13 60.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . 0.405 ' HA ' HG12 ' A' ' 761' ' ' VAL . 0.3 OUTLIER -58.86 -37.95 77.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.88 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -72.93 -28.25 62.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 760' ' ' LEU . 2.1 tt -78.69 -39.53 36.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.552 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.1 p -71.41 -36.84 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.2 t -69.86 -32.35 70.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.1 mm -66.17 -38.98 83.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.728 HG21 HG11 ' A' ' 654' ' ' VAL . 28.9 p -68.58 -42.77 77.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.9 m -66.23 -48.89 69.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -24.32 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.938 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.706 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.146 0 CA-C-O 120.776 0.24 . . . . 0.0 112.31 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 3.8 t70 -96.59 136.34 21.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 110.895 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -49.2 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.372 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . 0.445 ' C ' HD13 ' A' ' 648' ' ' LEU . . . -111.76 -146.15 10.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.592 HD12 ' CE2' ' A' ' 698' ' ' PHE . 0.3 OUTLIER -104.94 152.38 39.59 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.293 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.704 ' O ' HG23 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -124.04 120.56 32.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.82 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.8 m -65.71 -53.26 43.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -58.7 -48.25 81.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.52 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.0 OUTLIER -51.52 -36.45 44.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.775 HG11 HG21 ' A' ' 764' ' ' THR . 81.4 t -69.03 -47.0 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.61 -52.88 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.46 -30.75 71.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.745 ' O ' HG23 ' A' ' 661' ' ' VAL . 1.9 mmtp -70.39 -37.01 74.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.528 HG21 ' HB ' ' A' ' 761' ' ' VAL . 1.0 OUTLIER -81.83 -44.07 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.118 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.78 -36.93 72.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -71.73 -30.69 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.783 HG22 ' HB1' ' A' ' 690' ' ' ALA . 66.2 t -63.88 -46.93 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.711 ' HA ' HD12 ' A' ' 665' ' ' ILE . 81.4 p -58.87 -36.06 74.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.23 -44.53 75.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -60.59 -36.74 79.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 662' ' ' THR . 12.0 mt -66.46 -40.2 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -55.96 -34.19 65.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.49 -39.26 90.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.723 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.75 -39.13 73.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.538 HD21 ' CB ' ' A' ' 750' ' ' ALA . 23.8 mt -69.9 -49.15 54.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -61.19 -37.09 81.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.06 65.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.574 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.99 -49.08 49.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -67.91 -27.75 66.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -89.23 8.98 27.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 51.61 69.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -128.34 76.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -61.09 -35.63 77.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -71.27 -22.29 61.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 68.2 m -85.5 -9.85 56.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . 0.729 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.4 m-30 -71.71 -30.88 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.568 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -61.83 -56.17 34.74 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.644 0.735 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.9 Cg_endo -69.74 -41.47 4.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.723 ' HB3' HD22 ' A' ' 668' ' ' LEU . 12.8 m -58.43 -35.28 71.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.78 -32.63 59.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.32 -47.64 60.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -57.91 -37.21 73.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.463 HD11 ' HB2' ' A' ' 668' ' ' LEU . 58.8 mt -67.17 -37.47 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -63.67 -36.68 84.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.03 -48.13 79.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.783 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.98 -36.61 84.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.747 HG13 ' HG ' ' A' ' 714' ' ' LEU . 89.1 t -67.35 -51.87 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 87.8 m -67.37 -43.85 80.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.41 -44.27 95.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -49.93 68.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.39 80.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 1.6 t -55.88 -36.77 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -64.12 -22.86 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.592 ' CE2' HD12 ' A' ' 648' ' ' LEU . 47.1 m-85 -85.56 149.17 50.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 154.52 67.75 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.658 2.238 . . . . 0.0 112.318 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -17.11 55.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.52 88.47 12.55 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.696 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 156.46 63.33 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.682 2.255 . . . . 0.0 112.394 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.706 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.6 21.63 15.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.03 136.43 53.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.661 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 8.1 mt-10 -61.99 -51.41 75.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.682 0.754 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.7 Cg_endo -69.81 -27.88 25.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.635 2.224 . . . . 0.0 112.342 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 18.4 t -67.97 -38.22 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -66.05 -44.08 85.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -40.58 59.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . 0.409 ' HA ' HD21 ' A' ' 713' ' ' LEU . 97.6 p -59.22 -31.54 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -27.8 58.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -73.07 -40.39 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.0 pp -75.83 -32.64 59.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.747 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.2 tp -66.4 -51.33 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -62.96 -44.13 96.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.81 76.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -48.0 82.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . 0.431 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -66.94 -29.86 69.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -73.12 -36.84 66.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -72.04 -45.43 60.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.15 -39.19 85.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.01 -47.15 78.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 3.1 m -66.59 -37.79 85.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -69.01 -49.53 56.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . 0.671 ' O ' HG23 ' A' ' 728' ' ' THR . 20.0 m -69.1 -32.26 71.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -53.86 -36.86 63.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . 0.53 ' O ' HD21 ' A' ' 742' ' ' LEU . 1.6 mtmt -100.39 69.9 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 725' ' ' CYS . 2.7 p -94.89 -177.85 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 111.097 179.94 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 2.0 p90 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -68.42 -43.83 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.89 -27.97 61.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.53 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.1 OUTLIER -59.08 -50.97 72.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . 0.574 HG23 ' HB1' ' A' ' 672' ' ' ALA . 0.4 OUTLIER -59.41 -37.59 78.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -69.05 -34.85 75.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -70.14 -45.03 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . 0.729 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.7 m -67.72 -38.92 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 45.9 mt -63.57 -47.77 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -62.11 -44.58 96.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 95.4 m -66.58 -47.59 72.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . 0.585 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -63.34 -42.39 98.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.55 -35.97 80.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.1 -48.2 58.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -34.73 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . 0.485 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -68.22 -44.68 75.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -74.41 -34.33 63.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . 0.473 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -60.87 -27.58 68.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.05 63.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -58.71 -38.43 78.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.97 -28.5 62.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 764' ' ' THR . 0.5 OUTLIER -78.65 -39.6 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.528 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.5 p -71.28 -36.74 62.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.7 t -70.31 -33.5 71.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.66 -39.86 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.775 HG21 HG11 ' A' ' 654' ' ' VAL . 21.3 p -69.06 -40.75 78.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 94.5 m -65.73 -46.19 79.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -68.57 -20.88 64.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.677 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.756 0.232 . . . . 0.0 112.373 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.9 OUTLIER -97.37 137.2 21.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . 0.541 ' O ' HD13 ' A' ' 704' ' ' LEU . 53.4 Cg_endo -69.87 -49.13 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . 0.516 ' C ' HD23 ' A' ' 648' ' ' LEU . . . -105.12 -133.96 7.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.897 HD13 HG21 ' A' ' 654' ' ' VAL . 0.8 OUTLIER -129.45 155.35 80.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 0.0 110.918 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -51.66 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.643 ' O ' HG23 ' A' ' 654' ' ' VAL . 1.8 m -123.93 119.99 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 5.1 m -66.42 -53.24 37.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.64 -48.3 79.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.571 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.2 m-20 -50.9 -37.04 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.897 HG21 HD13 ' A' ' 648' ' ' LEU . 90.9 t -69.77 -46.72 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.7 -52.95 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.6 pp -63.41 -30.69 71.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.745 ' O ' HG23 ' A' ' 661' ' ' VAL . 7.8 mmtp -70.32 -36.31 74.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -44.17 16.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -57.78 -36.63 72.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -71.65 -30.65 65.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 657' ' ' LYS . 73.6 t -63.34 -45.43 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.687 ' HA ' HD12 ' A' ' 665' ' ' ILE . 77.8 p -60.91 -37.59 82.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.22 -43.61 77.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -60.8 -34.34 74.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 662' ' ' THR . 16.2 mt -68.85 -37.82 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.18 -34.07 74.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -60.95 -37.59 82.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.79 -37.87 73.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 669' ' ' LEU . 4.2 mm? -66.66 -49.03 67.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -61.17 -37.57 83.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.76 -33.32 75.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.672 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.42 -49.03 53.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.051 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -65.04 -25.27 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -97.09 8.35 44.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 51.45 74.47 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -130.8 66.8 1.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -55.6 -33.11 63.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.33 -22.41 61.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 61.3 m -90.3 -6.21 55.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . 0.721 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -71.97 -31.0 65.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.564 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -61.27 -56.3 35.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.595 0.712 . . . . 0.0 111.095 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.77 -44.32 2.14 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.725 ' HB3' HD22 ' A' ' 668' ' ' LEU . 28.6 m -58.52 -39.76 81.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . 0.493 ' HA ' HD12 ' A' ' 687' ' ' ILE . 12.7 t -74.76 -32.27 62.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -71.17 -47.07 59.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -57.7 -33.28 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 684' ' ' SER . 50.0 mt -68.21 -37.46 78.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -65.79 -37.17 85.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.04 -46.16 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.678 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.85 -36.45 83.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.651 HG13 ' HG ' ' A' ' 714' ' ' LEU . 84.3 t -69.51 -51.36 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 87.0 m -66.37 -42.7 87.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.89 -39.21 80.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . 0.761 ' HE2' HG13 ' A' ' 654' ' ' VAL . 1.3 ttm -65.23 -49.77 68.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.02 -36.11 80.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 8.1 t -55.55 -35.92 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -65.93 -21.1 66.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.628 ' CZ ' HD22 ' A' ' 648' ' ' LEU . 45.7 m-85 -87.27 158.72 51.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.689 0.757 . . . . 0.0 110.86 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 168.6 21.17 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.623 2.215 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -26.14 8.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -151.71 121.37 3.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 165.96 29.19 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.266 . . . . 0.0 112.371 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.677 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -120.97 23.67 10.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.571 HD23 HG23 ' A' ' 707' ' ' VAL . 1.2 tp -122.27 139.02 54.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.652 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 2.4 mm-40 -61.32 -51.75 75.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.74 -29.67 23.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.31 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . 0.571 HG23 HD23 ' A' ' 704' ' ' LEU . 25.3 t -67.19 -38.01 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -45.98 82.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.1 m -73.52 -41.53 62.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . 0.438 ' HB2' HD13 ' A' ' 760' ' ' LEU . 84.9 p -59.48 -29.04 67.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.1 tp -75.75 -27.74 58.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -72.88 -40.57 65.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.668 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.0 pp -75.93 -32.86 59.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.668 ' N ' HD12 ' A' ' 713' ' ' LEU . 6.4 tp -67.23 -51.26 55.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -63.92 -45.79 87.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.98 -33.81 76.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -48.04 82.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . 0.463 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -72.87 -34.42 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -66.68 -38.48 86.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -44.67 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -44.55 97.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -64.46 -44.77 90.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.972 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 12.9 m -66.23 -41.28 90.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -68.99 -49.24 59.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . 0.494 ' O ' HG23 ' A' ' 728' ' ' THR . 17.0 m -68.25 -27.32 66.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -53.62 -36.8 62.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -99.21 34.91 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.722 ' HA ' HD21 ' A' ' 742' ' ' LEU . 0.7 OUTLIER -57.21 -178.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . 0.795 HG23 HD22 ' A' ' 742' ' ' LEU . 2.2 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 51.1 p90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -54.93 -54.22 45.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.51 -27.72 69.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.795 HD22 HG23 ' A' ' 729' ' ' VAL . 2.3 tp -58.69 -51.05 71.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . 0.672 HG23 ' HB1' ' A' ' 672' ' ' ALA . 2.2 m -60.77 -37.44 81.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -34.82 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -70.39 -44.83 67.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . 0.721 HG11 ' CE2' ' A' ' 680' ' ' PHE . 23.5 m -67.46 -38.93 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . 0.509 HD11 HG22 ' A' ' 743' ' ' THR . 53.0 mt -65.49 -49.84 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -62.22 -46.01 90.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 61.7 m -65.56 -43.66 89.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . 0.438 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -65.09 -41.86 94.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -67.32 -36.02 80.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -48.54 59.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . 0.489 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.31 -34.39 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . 0.469 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.4 -41.48 84.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -63.87 -38.44 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.96 -26.92 67.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -63.25 -38.58 91.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . 0.402 ' HA ' HG12 ' A' ' 761' ' ' VAL . 22.5 mtpt -66.69 -39.63 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . 0.401 ' HA ' HG22 ' A' ' 762' ' ' THR . 1.6 tt0 -74.11 -31.4 62.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 764' ' ' THR . 7.1 tp -78.83 -37.56 40.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' A' ' 758' ' ' LYS . 7.0 p -73.27 -32.32 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 759' ' ' GLN . 15.1 t -77.15 -35.46 56.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.69 -38.74 82.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 760' ' ' LEU . 61.4 p -67.62 -43.46 80.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 95.7 m -66.26 -49.1 68.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -22.77 61.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.614 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.802 0.251 . . . . 0.0 112.329 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.8 t70 -101.25 137.94 19.81 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.61 0.719 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . 0.519 ' O ' HD12 ' A' ' 704' ' ' LEU . 53.3 Cg_endo -69.74 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.744 2.296 . . . . 0.0 112.332 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -111.06 -150.14 11.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.678 HD22 HG21 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -111.52 152.08 43.74 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.599 0.714 . . . . 0.0 110.965 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -50.52 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.319 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 654' ' ' VAL . 1.0 OUTLIER -123.59 121.54 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.7 m -65.26 -52.55 53.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -57.94 -47.01 84.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.475 ' HA ' HD21 ' A' ' 656' ' ' LEU . 30.8 m-20 -51.87 -36.35 48.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.678 HG21 HD22 ' A' ' 648' ' ' LEU . 90.1 t -70.06 -47.0 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.41 -53.46 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 657' ' ' LYS . 4.6 pp -63.61 -29.18 70.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.978 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.733 ' O ' HG23 ' A' ' 661' ' ' VAL . 2.8 mmtp -70.6 -36.88 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.46 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.63 -44.51 15.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -58.05 -36.27 72.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 15.5 pt20 -71.59 -31.15 66.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 657' ' ' LYS . 70.3 t -63.06 -45.82 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.663 ' HA ' HD12 ' A' ' 665' ' ' ILE . 75.4 p -60.04 -37.01 78.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -68.41 -43.09 77.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -60.75 -35.71 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.8 mt -68.45 -39.86 81.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -55.85 -34.61 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.48 -38.34 86.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.708 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.45 -38.96 71.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.529 HD21 ' CB ' ' A' ' 750' ' ' ALA . 24.0 mt -70.0 -49.13 54.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -60.07 -36.87 78.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 676' ' ' LYS . . . -68.6 -34.16 75.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.1 65.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.97 -29.93 70.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -92.65 8.15 40.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 51.6 75.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . 0.442 ' HB2' ' HB1' ' A' ' 671' ' ' ALA . 17.0 mmmt -131.48 67.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -55.8 -32.79 63.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -22.44 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 62.3 m -91.03 -5.61 55.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . 0.734 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.2 m-30 -71.96 -35.2 69.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.566 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -56.87 -56.32 34.38 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.637 0.732 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.3 Cg_endo -69.74 -43.3 2.76 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.708 ' HB3' HD22 ' A' ' 668' ' ' LEU . 14.9 m -58.2 -38.18 76.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 2.2 t -75.26 -32.44 61.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.7 -47.11 49.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -57.61 -34.64 69.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.506 HD11 ' HB2' ' A' ' 668' ' ' LEU . 59.3 mt -67.67 -37.4 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -65.38 -37.22 86.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.5 mt -57.37 -47.13 82.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.608 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.3 -36.29 81.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.619 HG13 ' HG ' ' A' ' 714' ' ' LEU . 89.9 t -71.05 -51.48 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 92.9 m -65.45 -41.31 93.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.78 -36.44 74.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -50.08 67.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -54.06 -36.99 63.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.053 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 40.2 t -55.68 -37.94 68.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.95 -20.88 65.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.629 ' CE1' HD23 ' A' ' 648' ' ' LEU . 95.5 m-85 -93.72 155.9 40.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.737 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 177.07 5.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.294 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -31.32 13.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.38 130.3 6.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 159.03 54.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.614 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.39 16.4 20.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 646' ' ' PRO . 0.2 OUTLIER -116.98 140.88 48.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.626 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 15.9 mt-10 -62.47 -52.89 62.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.6 Cg_endo -69.71 -34.94 13.73 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.318 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.02 -34.84 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -65.22 -46.09 82.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 9.5 m -73.04 -40.72 64.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . 0.44 ' HA ' HD21 ' A' ' 713' ' ' LEU . 2.6 t -59.4 -39.1 82.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.44 -28.42 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -39.73 66.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.0 pp -75.85 -32.72 59.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.654 ' N ' HD12 ' A' ' 713' ' ' LEU . 7.9 tp -63.58 -50.99 67.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -43.21 93.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.93 -34.01 76.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 47.3 m -63.42 -47.88 80.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -69.64 -29.96 67.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -45.27 81.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -68.55 -41.21 80.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -40.68 89.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -45.46 85.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.62 -39.53 88.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -69.24 -49.48 55.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 728' ' ' THR . 13.9 m -69.21 -27.51 65.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -53.72 -36.77 62.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -103.65 70.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 725' ' ' CYS . 4.9 p -88.81 -177.68 5.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.589 0.709 . . . . 0.0 111.18 179.876 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 52.8 p90 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -54.87 -41.78 71.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.2 -29.6 61.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -49.07 79.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -38.12 75.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -69.12 -35.02 75.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -70.2 -44.97 67.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . 0.734 HG11 ' CE2' ' A' ' 680' ' ' PHE . 24.4 m -67.73 -38.79 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.47 -49.37 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -62.18 -46.0 90.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 78.0 m -65.58 -47.54 75.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . 0.529 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -62.96 -42.23 99.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -67.54 -35.73 79.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.32 -48.3 61.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.852 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . 0.462 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -65.93 -34.72 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.44 -44.16 79.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -66.85 -39.24 87.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.84 -27.49 68.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.31 95.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -58.77 -38.14 77.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -73.07 -28.43 62.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.63 -39.16 37.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.46 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.2 p -71.8 -36.69 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.0 t -70.18 -32.6 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.34 -42.46 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.675 HG22 HD11 ' A' ' 648' ' ' LEU . 66.6 p -66.32 -42.68 87.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 92.2 m -66.07 -49.04 69.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -67.13 -32.88 74.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.698 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.1 Cg_endo . . . . . 0 C--O 1.23 0.125 0 CA-C-O 120.777 0.24 . . . . 0.0 112.345 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.475 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.0 OUTLIER -97.92 137.08 20.89 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.619 0.723 . . . . 0.0 110.876 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -49.05 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.281 . . . . 0.0 112.33 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -107.04 -145.76 12.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.811 HD13 HG21 ' A' ' 654' ' ' VAL . 0.2 OUTLIER -114.41 157.85 41.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.96 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.731 2.287 . . . . 0.0 112.307 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.698 ' O ' HG23 ' A' ' 654' ' ' VAL . 11.1 m -124.25 119.97 30.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.3 m -66.43 -53.58 34.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -48.89 78.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.481 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.1 t70 -50.69 -36.22 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.829 HG11 HG21 ' A' ' 764' ' ' THR . 90.4 t -70.38 -46.86 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.63 -53.15 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 653' ' ' ASP . 4.4 pp -64.6 -29.49 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.736 ' O ' HG23 ' A' ' 661' ' ' VAL . 2.2 mmtp -71.17 -36.97 72.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.608 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.3 OUTLIER -82.21 -44.32 16.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.74 -36.47 72.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.438 HE21 ' HB2' ' A' ' 690' ' ' ALA . 14.8 pt20 -71.94 -30.6 65.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 657' ' ' LYS . 66.8 t -63.65 -45.44 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.71 ' HA ' HD12 ' A' ' 665' ' ' ILE . 82.1 p -60.74 -37.02 80.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.33 -43.86 76.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -60.73 -34.93 75.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 662' ' ' THR . 16.8 mt -67.85 -38.56 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -58.75 -34.25 71.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -61.17 -35.98 78.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.24 -38.23 71.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 751' ' ' TYR . 10.4 mp -68.08 -49.32 62.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -59.29 -37.0 76.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.15 -32.71 74.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.607 ' HB1' ' CG2' ' A' ' 743' ' ' THR . . . -71.46 -49.4 41.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -61.75 -20.04 63.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.85 11.41 39.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 53.03 64.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -128.66 82.81 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -64.67 -38.24 90.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -69.36 -23.6 63.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 36.4 m -74.88 -14.84 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -71.71 -35.32 70.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.54 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.01 -57.32 20.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.9 Cg_endo -69.78 -44.44 2.06 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.349 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.71 ' HB3' HD22 ' A' ' 668' ' ' LEU . 24.7 m -60.02 -34.5 73.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 8.3 t -74.48 -32.29 62.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.39 -47.87 62.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -58.65 -34.34 71.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 691' ' ' VAL . 52.5 mt -68.86 -37.82 77.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -63.88 -36.58 84.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.86 -49.33 75.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.691 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.98 -36.66 84.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.771 HG13 ' HG ' ' A' ' 714' ' ' LEU . 95.4 t -67.13 -51.95 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 81.4 m -67.62 -42.41 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.54 -42.68 98.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . 0.411 ' HE3' HG13 ' A' ' 654' ' ' VAL . 0.0 OUTLIER -65.1 -50.0 67.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.44 84.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 2.5 t -56.07 -36.36 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.482 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -63.44 -21.6 66.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.639 ' CE2' HD22 ' A' ' 648' ' ' LEU . 47.4 m-85 -87.75 151.31 49.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 148.71 65.54 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -19.67 44.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -130.46 87.55 49.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 152.98 69.68 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.739 2.293 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -112.23 22.1 15.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.451 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.4 OUTLIER -118.81 137.54 53.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.65 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 1.8 mt-10 -61.76 -51.96 72.27 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.632 0.729 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.65 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.7 -28.57 25.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.246 . . . . 0.0 112.356 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.66 -37.42 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -65.52 -45.52 83.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.7 m -75.11 -39.39 60.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . 0.603 ' HB3' HD23 ' A' ' 760' ' ' LEU . 29.7 m -59.16 -28.91 67.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -27.68 58.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -73.07 -40.45 65.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.727 HD13 ' HB1' ' A' ' 756' ' ' ALA . 4.0 pp -75.87 -32.81 59.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.771 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.2 tp -67.1 -51.19 57.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -64.88 -43.22 93.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.77 76.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 1.4 m -61.94 -48.12 81.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -67.27 -29.93 69.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -73.17 -45.78 54.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -62.74 -45.18 93.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -45.29 93.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -56.81 -34.72 67.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.27 -37.67 86.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -68.72 -49.32 59.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 7.3 p -65.69 -26.66 67.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -49.17 71.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . 0.731 ' O ' HD21 ' A' ' 742' ' ' LEU . 0.2 OUTLIER -105.36 78.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.709 HG22 ' CD1' ' A' ' 742' ' ' LEU . 22.0 p -103.63 -177.24 3.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 33.3 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -71.24 -37.19 72.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.54 -33.37 75.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.731 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.2 OUTLIER -58.87 -41.23 86.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . 0.607 ' CG2' ' HB1' ' A' ' 672' ' ' ALA . 0.2 OUTLIER -73.43 -35.36 65.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -69.78 -35.24 74.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -69.89 -45.28 67.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.2 m -66.66 -38.88 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.071 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 59.4 mt -67.48 -50.04 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -60.46 -46.18 90.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 4.0 t -63.8 -47.99 78.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . 0.596 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -59.81 -42.26 93.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . 0.415 ' CE1' HD21 ' A' ' 669' ' ' LEU . 1.5 m-85 -67.52 -35.67 79.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.04 -48.08 63.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . 0.4 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -65.66 -34.42 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . 0.465 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.25 -44.04 80.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -65.74 -36.68 84.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . 0.727 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -65.74 -26.85 67.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.27 -37.77 74.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -58.9 -38.25 78.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -28.37 62.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . 0.668 ' O ' HG23 ' A' ' 764' ' ' THR . 0.3 OUTLIER -78.66 -39.38 37.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.608 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.4 p -71.46 -36.64 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.3 t -70.43 -33.08 70.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.63 -38.91 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.829 HG21 HG11 ' A' ' 654' ' ' VAL . 17.9 p -66.97 -41.91 86.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 39.4 m -65.29 -49.09 70.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -66.79 -28.8 68.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.693 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.138 0 CA-C-O 120.806 0.252 . . . . 0.0 112.318 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.7 t70 -97.09 136.9 21.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.611 0.72 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . 0.499 ' C ' HD23 ' A' ' 648' ' ' LEU . . . -106.02 -133.8 7.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.475 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.875 HD13 HG21 ' A' ' 654' ' ' VAL . 0.9 OUTLIER -128.7 154.96 79.84 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.62 0.724 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -51.65 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.715 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.9 m -124.18 120.32 31.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.7 m -66.18 -53.16 40.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -57.88 -48.44 79.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.47 ' HA ' HD21 ' A' ' 656' ' ' LEU . 3.4 t70 -51.08 -35.2 33.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.875 HG21 HD13 ' A' ' 648' ' ' LEU . 99.1 t -70.35 -47.07 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.08 -53.52 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 657' ' ' LYS . 4.6 pp -63.78 -28.97 70.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' 661' ' ' VAL . 3.0 mmtp -70.8 -36.7 73.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.517 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.64 -44.58 15.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -57.46 -36.16 71.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -71.65 -30.31 65.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.827 HG22 ' HB1' ' A' ' 690' ' ' ALA . 70.4 t -62.83 -47.79 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.687 ' HA ' HD12 ' A' ' 665' ' ' ILE . 73.2 p -58.89 -35.71 73.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -68.14 -44.1 76.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -60.6 -38.5 84.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 662' ' ' THR . 14.3 mt -64.81 -38.24 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -56.86 -33.91 67.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -61.54 -38.29 86.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.43 -39.79 70.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.548 HD21 ' CB ' ' A' ' 750' ' ' ALA . 23.4 mt -70.05 -49.6 49.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -59.11 -36.88 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.14 -31.18 70.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.753 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -69.32 -49.2 58.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -64.22 -34.42 78.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -85.13 -3.71 58.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 61.85 75.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -134.45 69.13 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -56.32 -30.4 62.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.49 -22.47 61.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 1.7 t -91.31 -6.2 53.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . 0.73 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -71.16 -34.47 71.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.572 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.4 t -59.25 -55.73 43.28 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.648 0.737 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.8 Cg_endo -69.81 -40.25 5.47 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.725 ' HB3' HD22 ' A' ' 668' ' ' LEU . 6.9 m -58.54 -34.47 71.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -32.87 58.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -69.33 -47.83 63.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -57.53 -37.03 72.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 691' ' ' VAL . 58.7 mt -67.3 -37.05 78.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . 0.405 ' ND1' ' HB1' ' A' ' 718' ' ' ALA . 6.3 m-70 -64.53 -36.87 85.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.96 -47.66 80.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.827 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.17 -36.35 83.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.742 HG13 ' HG ' ' A' ' 714' ' ' LEU . 92.9 t -68.6 -51.44 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 57.0 m -67.08 -43.57 82.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.83 -38.38 78.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -49.79 68.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.02 82.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 9.4 t -55.4 -38.2 68.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.466 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.97 -20.77 65.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.562 ' CZ ' HD22 ' A' ' 648' ' ' LEU . 53.1 m-85 -89.81 158.12 45.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.731 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 169.6 18.58 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -25.34 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.38 120.3 3.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 165.38 31.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.693 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -120.72 25.04 9.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.431 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.6 OUTLIER -124.48 140.11 53.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.634 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 0.9 OUTLIER -61.49 -52.8 67.41 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.8 Cg_endo -69.78 -29.07 24.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 34.6 t -67.38 -37.21 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -45.93 83.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 17.4 m -74.25 -42.05 60.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . 0.447 ' HA ' HD21 ' A' ' 713' ' ' LEU . 77.9 p -60.18 -38.2 82.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.831 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.09 -29.1 57.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.58 -39.9 67.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.1 pp -76.08 -32.71 59.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.742 ' HG ' HG13 ' A' ' 691' ' ' VAL . 10.4 tp -60.73 -51.1 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -64.53 -38.61 91.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.95 76.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -37.4 84.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . 0.405 ' HB1' ' ND1' ' A' ' 688' ' ' HIS . . . -71.88 -36.74 70.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.89 -46.16 82.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -63.82 -46.12 86.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 721' ' ' LEU . 0.4 OUTLIER -60.08 -38.14 82.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -47.47 80.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 38.1 m -66.9 -44.44 80.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -60.54 -49.89 75.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . 0.456 ' SG ' HD21 ' A' ' 668' ' ' LEU . 10.2 m -69.63 -35.22 75.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -53.67 -36.78 62.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -97.8 66.89 1.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.695 HG21 ' HB2' ' A' ' 680' ' ' PHE . 0.6 OUTLIER -99.14 177.23 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.166 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 1.7 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 111.163 179.896 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 53.6 p90 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.779 0.323 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -50.95 29.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -28.91 69.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -47.75 84.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . 0.753 HG23 ' HB1' ' A' ' 672' ' ' ALA . 37.3 m -58.21 -37.61 75.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -35.07 75.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -70.1 -45.09 67.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . 0.73 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.5 m -67.33 -38.86 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . 0.609 ' CD1' HG22 ' A' ' 743' ' ' THR . 52.0 mt -64.03 -45.77 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.209 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -62.19 -46.07 90.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.97 -46.66 73.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . 0.548 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -62.84 -41.89 99.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -67.37 -35.88 80.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.27 -48.42 65.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . 0.482 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.29 -34.95 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.73 -44.21 78.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.087 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -68.23 -38.98 82.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . 0.489 ' HB1' ' CD1' ' A' ' 713' ' ' LEU . . . -60.81 -27.1 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.89 -38.67 73.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -58.8 -38.26 78.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.05 -28.46 62.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . 0.672 ' O ' HG23 ' A' ' 764' ' ' THR . 0.3 OUTLIER -78.62 -39.3 37.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.517 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.3 p -71.57 -36.54 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.6 t -70.56 -33.49 71.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.62 -38.75 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 760' ' ' LEU . 20.5 p -67.75 -43.52 79.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 97.2 m -66.16 -49.08 68.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -23.5 62.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.714 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.163 0 CA-C-O 120.797 0.249 . . . . 0.0 112.326 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.5 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.1 t70 -98.39 136.98 20.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -118.14 -140.88 6.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.865 HD13 HG21 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -108.65 152.22 42.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 0.0 110.913 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -51.79 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.721 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.7 m -124.29 121.54 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.01 -53.18 50.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -58.5 -48.04 82.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.533 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.3 t70 -51.76 -36.44 47.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.865 HG21 HD13 ' A' ' 648' ' ' LEU . 93.3 t -68.97 -47.19 77.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.77 -52.73 50.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.75 -30.12 71.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.743 ' O ' HG23 ' A' ' 661' ' ' VAL . 4.5 mmtm -70.99 -36.78 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.677 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.5 OUTLIER -82.16 -44.45 16.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -57.71 -36.35 71.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -71.73 -30.62 65.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.819 HG22 ' HB1' ' A' ' 690' ' ' ALA . 77.8 t -63.58 -47.25 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.718 ' HA ' HD12 ' A' ' 665' ' ' ILE . 79.1 p -58.79 -36.04 73.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.19 -44.93 74.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -60.59 -32.78 71.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 662' ' ' THR . 12.7 mt -72.03 -37.97 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -34.33 71.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.38 -35.7 78.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.92 -38.39 72.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.62 -49.13 64.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -60.69 -37.38 81.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.62 -31.77 72.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.29 44.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.83 -23.26 67.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -94.66 10.34 35.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 51.52 64.79 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -128.59 84.8 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -64.86 -38.56 91.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -69.35 -23.05 63.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 36.8 m -75.52 -15.02 60.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . 0.548 ' CD2' HG11 ' A' ' 746' ' ' VAL . 18.3 m-30 -71.77 -35.19 69.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.539 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.06 -57.28 20.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.8 -44.49 2.02 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.7 ' HB3' HD22 ' A' ' 668' ' ' LEU . 23.9 m -59.92 -34.26 72.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 8.7 t -75.25 -32.3 61.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.53 -47.7 59.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -58.14 -37.5 74.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.602 ' O ' HG23 ' A' ' 691' ' ' VAL . 56.4 mt -66.34 -37.5 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -63.95 -37.05 85.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -57.7 -49.91 74.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.819 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.63 -36.61 83.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 687' ' ' ILE . 72.2 t -68.48 -51.54 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 92.7 m -67.04 -43.14 83.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.32 -37.46 77.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 2.3 ttp -65.16 -49.88 68.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -67.51 -36.4 80.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 1.1 m -55.33 -39.4 69.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.65 -20.58 64.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.555 ' CE1' HD22 ' A' ' 648' ' ' LEU . 70.3 m-85 -101.98 154.34 37.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 156.56 63.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -14.43 60.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.73 84.22 39.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.54 0.686 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 162.29 42.63 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -109.27 18.21 20.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.445 HD13 ' CG2' ' A' ' 707' ' ' VAL . 0.5 OUTLIER -111.61 135.17 52.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.667 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.1 mt-10 -62.32 -51.02 76.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.729 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.3 Cg_endo -69.72 -29.17 24.48 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.39 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . 0.445 ' CG2' HD13 ' A' ' 704' ' ' LEU . 17.7 t -66.31 -37.55 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -66.22 -45.98 78.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . 0.444 ' O ' HD23 ' A' ' 713' ' ' LEU . 2.7 m -75.03 -35.24 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.814 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . 0.592 ' HA ' HD21 ' A' ' 713' ' ' LEU . 15.7 m -59.61 -32.3 70.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -27.45 60.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -59.84 -54.62 44.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.604 HD23 ' H ' ' A' ' 713' ' ' LEU . 1.1 pt? -76.9 -32.08 57.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 691' ' ' VAL . 68.0 tp -60.38 -51.5 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -65.64 -44.42 86.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.92 -33.39 75.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -48.04 82.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.02 67.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.55 -35.2 60.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -71.36 -42.47 68.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.86 -39.16 84.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -62.3 -39.67 93.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -37.6 85.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -68.09 -49.52 60.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 9.0 p -66.39 -26.68 67.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -65.32 -36.95 85.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . 0.597 ' O ' HD11 ' A' ' 742' ' ' LEU . 0.0 OUTLIER -106.32 73.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 21.6 p -115.19 -177.85 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 111.138 179.84 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 17.8 p90 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -68.38 -54.53 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.01 -27.84 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.597 HD11 ' O ' ' A' ' 727' ' ' LYS . 1.3 mm? -58.86 -50.07 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -36.78 73.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -70.11 -34.91 73.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -70.55 -45.91 64.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . 0.548 HG11 ' CD2' ' A' ' 680' ' ' PHE . 20.1 m -64.79 -38.81 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 54.1 mt -65.54 -48.31 83.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.154 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -59.55 -46.34 89.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 95.0 m -62.94 -45.18 93.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.81 94.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -67.85 -35.59 78.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -70.34 -48.35 56.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -34.29 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . 0.604 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.18 -42.79 83.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -64.57 -35.34 80.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . 0.482 ' HB2' HD12 ' A' ' 713' ' ' LEU . . . -64.09 -37.85 88.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . 0.407 ' HA ' HG12 ' A' ' 761' ' ' VAL . 16.2 mtpt -58.79 -38.52 78.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -72.92 -28.13 62.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . 0.674 ' O ' HG23 ' A' ' 764' ' ' THR . 0.2 OUTLIER -78.79 -39.61 35.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.677 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.2 p -71.03 -36.87 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.5 t -70.09 -33.15 71.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.77 -38.94 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.717 HG21 HG11 ' A' ' 654' ' ' VAL . 17.8 p -67.28 -40.85 86.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 60.4 m -65.97 -49.19 68.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -65.88 -21.05 66.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.707 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.831 0.263 . . . . 0.0 112.324 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.4 t70 -98.02 137.54 20.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 110.838 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.27 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . 0.575 ' C ' HD13 ' A' ' 648' ' ' LEU . . . -109.56 -144.53 10.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.575 HD13 ' C ' ' A' ' 647' ' ' GLY . 0.2 OUTLIER -112.13 151.5 43.68 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.592 0.71 . . . . 0.0 110.905 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 -51.05 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 654' ' ' VAL . 1.2 m -123.86 120.77 33.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.24 -53.33 46.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -58.2 -47.79 82.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.537 ' HA ' HD21 ' A' ' 656' ' ' LEU . 42.5 m-20 -51.87 -36.48 48.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.761 HG11 HG21 ' A' ' 764' ' ' THR . 96.6 t -69.1 -47.12 76.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.93 -52.88 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.537 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.3 -30.17 71.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.739 ' O ' HG23 ' A' ' 661' ' ' VAL . 5.7 mmtm -70.77 -36.67 73.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . 0.614 HG22 ' HB1' ' A' ' 757' ' ' ALA . 0.3 OUTLIER -82.34 -44.41 16.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.95 -36.2 72.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 11.2 pt20 -71.5 -30.58 66.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.828 HG22 ' HB1' ' A' ' 690' ' ' ALA . 72.4 t -63.97 -46.05 95.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.718 ' HA ' HD12 ' A' ' 665' ' ' ILE . 72.9 p -60.16 -35.67 75.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -67.77 -44.93 76.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -60.57 -36.7 79.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 662' ' ' THR . 12.6 mt -66.89 -39.23 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -56.49 -34.01 66.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -61.61 -38.15 86.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.727 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.62 -40.16 69.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 750' ' ' ALA . 22.9 mt -69.86 -49.57 51.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -58.85 -36.79 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.25 -31.13 70.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.903 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -67.93 -49.07 63.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.66 -36.46 83.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -81.94 -4.25 56.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 61.83 74.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -133.85 68.6 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -56.23 -30.24 62.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -71.54 -22.49 61.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 682' ' ' PRO . 1.5 t -90.73 -6.8 53.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . 0.769 ' HB2' HG21 ' A' ' 728' ' ' THR . 3.2 m-30 -71.07 -34.58 71.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.57 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.4 t -59.08 -55.82 42.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.095 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.6 Cg_endo -69.75 -40.61 5.13 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.677 2.252 . . . . 0.0 112.325 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.727 ' HB3' HD22 ' A' ' 668' ' ' LEU . 7.5 m -58.32 -33.6 69.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -33.03 59.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.95 -47.52 62.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -57.47 -37.23 72.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 691' ' ' VAL . 58.6 mt -67.34 -37.26 78.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.145 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -64.13 -36.62 84.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.6 -48.56 77.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.828 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.19 -36.49 83.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.615 HG13 ' HG ' ' A' ' 714' ' ' LEU . 98.3 t -68.1 -51.66 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 60.5 m -67.23 -44.25 79.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.98 -36.42 74.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -49.69 69.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.07 80.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 40.8 t -55.52 -36.29 66.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -65.49 -20.69 66.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.571 ' CE2' HD12 ' A' ' 648' ' ' LEU . 47.5 m-85 -88.33 158.27 49.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.64 0.733 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 172.59 12.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.258 . . . . 0.0 112.363 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -22.81 20.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -156.56 122.34 2.5 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.631 0.729 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 162.56 41.59 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.255 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.707 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -119.53 25.03 10.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.436 HD13 HG23 ' A' ' 707' ' ' VAL . 1.5 mt -125.77 140.38 52.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.634 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 1.3 mt-10 -61.44 -52.81 67.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.655 0.741 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.7 Cg_endo -69.75 -28.86 24.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . 0.436 HG23 HD13 ' A' ' 704' ' ' LEU . 35.3 t -67.63 -38.08 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -64.92 -46.03 83.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.49 -42.03 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . 0.442 ' HA ' HD21 ' A' ' 713' ' ' LEU . 57.3 m -60.02 -38.38 82.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . 0.638 ' O ' HD23 ' A' ' 711' ' ' LEU . 3.8 tt -76.02 -29.06 57.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.64 -40.04 66.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.65 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.1 pp -75.95 -32.64 59.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.65 ' N ' HD12 ' A' ' 713' ' ' LEU . 8.5 tp -60.73 -50.59 72.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -38.24 90.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.08 -33.78 76.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -36.31 80.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.816 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.09 68.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.052 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.9 -46.03 83.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -64.02 -46.16 85.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -38.11 81.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -47.44 81.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 31.1 t -66.76 -44.82 80.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -60.51 -49.57 77.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 10.5 m -69.47 -35.9 76.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -36.75 63.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . 0.462 ' HE3' HD21 ' A' ' 742' ' ' LEU . 1.5 ptmt -101.64 54.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.769 HG21 ' HB2' ' A' ' 680' ' ' PHE . 0.6 OUTLIER -84.36 179.7 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.728 . . . . 0.0 111.122 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 46.4 p90 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.807 0.336 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -56.65 -49.33 75.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.95 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.53 -28.03 62.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.462 HD21 ' HE3' ' A' ' 727' ' ' LYS . 1.3 mm? -58.99 -49.91 76.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . 0.903 HG23 ' HB1' ' A' ' 672' ' ' ALA . 1.1 m -57.93 -37.64 74.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -69.44 -35.01 75.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -70.34 -45.22 66.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . 0.737 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.5 m -66.78 -38.92 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 47.2 mt -63.62 -45.45 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -62.19 -45.19 94.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 2.4 t -67.05 -46.65 73.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . 0.6 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -63.36 -41.79 98.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -67.43 -35.6 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -68.67 -48.19 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -34.77 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . 0.564 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.44 -44.12 79.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -63.97 -33.45 75.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.88 -27.01 67.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . 0.614 ' HB1' HG22 ' A' ' 658' ' ' THR . . . -70.02 -31.53 69.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . 0.416 ' HA ' HG12 ' A' ' 761' ' ' VAL . 2.8 mtpt -66.4 -39.44 89.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . 0.4 ' HA ' HG22 ' A' ' 762' ' ' THR . 1.8 mt-30 -74.04 -31.31 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . 0.691 ' O ' HG23 ' A' ' 764' ' ' THR . 1.3 tt -78.78 -37.71 40.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 758' ' ' LYS . 7.7 p -73.21 -32.21 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.077 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 759' ' ' GLN . 15.1 t -77.17 -35.14 56.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.56 -39.16 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.761 HG21 HG11 ' A' ' 654' ' ' VAL . 42.3 p -69.13 -40.99 77.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 88.6 m -65.75 -49.15 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -63.19 -33.32 75.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 644' ' ' PRO . . . . . 0.696 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.767 0.236 . . . . 0.0 112.352 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.45 136.95 20.67 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.579 0.704 . . . . 0.0 110.933 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -48.95 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.296 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 647' ' ' GLY . . . . . 0.56 ' C ' HD23 ' A' ' 648' ' ' LEU . . . -108.07 -132.42 6.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 648' ' ' LEU . . . . . 0.866 HD13 HG21 ' A' ' 654' ' ' VAL . 0.2 OUTLIER -124.77 156.76 68.0 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 0.0 110.9 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -52.12 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 650' ' ' SER . . . . . 0.662 ' O ' HG23 ' A' ' 654' ' ' VAL . 2.7 m -124.14 120.24 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.5 m -66.16 -53.3 39.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -58.03 -48.46 80.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 653' ' ' ASP . . . . . 0.484 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.2 m-20 -50.78 -36.5 37.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 654' ' ' VAL . . . . . 0.866 HG21 HD13 ' A' ' 648' ' ' LEU . 89.5 t -70.11 -46.81 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.03 -53.38 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 656' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 657' ' ' LYS . 4.6 pp -63.34 -29.56 70.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.927 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 657' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' 661' ' ' VAL . 2.3 mmtp -69.74 -37.26 76.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.27 -44.02 16.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -57.74 -36.7 72.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -71.63 -30.52 65.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 661' ' ' VAL . . . . . 0.772 HG22 ' HB1' ' A' ' 690' ' ' ALA . 76.3 t -62.95 -46.78 95.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 662' ' ' THR . . . . . 0.666 ' HA ' HD12 ' A' ' 665' ' ' ILE . 69.0 p -59.53 -37.15 77.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -68.37 -43.09 78.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -60.84 -36.44 79.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 665' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.9 mt -67.13 -38.19 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -33.56 67.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -60.36 -37.36 80.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.759 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.91 -39.14 72.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 669' ' ' LEU . . . . . 0.419 HD21 ' HB1' ' A' ' 750' ' ' ALA . 4.3 mm? -68.29 -49.55 59.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -60.31 -37.19 79.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.34 -31.73 72.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.785 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.68 -49.15 50.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -63.24 -32.3 73.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -86.84 -3.16 59.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 61.51 72.25 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -132.51 74.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -60.18 -29.72 68.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -71.45 -22.87 61.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -6.55 54.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 680' ' ' PHE . . . . . 0.735 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.4 m-30 -71.6 -39.92 70.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 681' ' ' VAL . . . . . 0.569 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -52.47 -56.31 23.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.74 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 682' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.1 Cg_endo -69.74 -43.91 2.4 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 683' ' ' CYS . . . . . 0.759 ' HB3' HD22 ' A' ' 668' ' ' LEU . 12.3 m -57.35 -34.16 68.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 2.5 p -74.71 -44.27 50.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.06 -41.62 90.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -58.36 -36.52 73.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 687' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 691' ' ' VAL . 46.8 mt -68.17 -37.53 78.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 688' ' ' HIS . . . . . 0.438 ' HA ' ' HB1' ' A' ' 718' ' ' ALA . 20.6 t-80 -62.78 -36.54 83.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.74 -50.38 72.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 690' ' ' ALA . . . . . 0.772 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -61.21 -36.45 79.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 691' ' ' VAL . . . . . 0.613 HG13 ' HG ' ' A' ' 714' ' ' LEU . 96.8 t -67.7 -51.37 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 97.5 m -66.78 -42.91 85.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.88 -39.03 80.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 1.3 ttm -65.31 -49.63 68.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.96 82.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 11.6 t -55.27 -35.93 65.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 697' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -64.95 -21.72 66.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 698' ' ' PHE . . . . . 0.644 ' CE2' HD22 ' A' ' 648' ' ' LEU . 46.9 m-85 -87.5 154.18 53.61 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.679 0.752 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.18 66.45 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -20.93 31.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.05 88.72 30.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.62 0.724 . . . . 0.0 110.823 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 158.81 55.67 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.754 2.303 . . . . 0.0 112.315 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -109.84 11.24 24.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 704' ' ' LEU . . . . . 0.409 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.2 OUTLIER -105.83 136.17 45.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 705' ' ' GLU . . . . . 0.656 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 0.8 OUTLIER -62.26 -51.4 74.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.63 0.728 . . . . 0.0 110.868 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 706' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.79 -28.2 25.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 707' ' ' VAL . . . . . 0.405 ' HB ' ' CB ' ' A' ' 704' ' ' LEU . 18.1 t -67.48 -36.01 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -46.44 78.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 14.9 m -75.36 -37.9 60.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 4.8 m -59.12 -35.0 72.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.61 -29.53 68.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -72.98 -48.58 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 713' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.0 pp -72.13 -42.12 66.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 714' ' ' LEU . . . . . 0.613 ' HG ' HG13 ' A' ' 691' ' ' VAL . 21.1 tp -58.48 -51.1 71.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -65.13 -41.38 94.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.61 -33.77 76.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -46.87 87.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 718' ' ' ALA . . . . . 0.438 ' HB1' ' HA ' ' A' ' 688' ' ' HIS . . . -60.78 -43.41 98.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -41.01 77.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 39.1 mtt85 -64.69 -42.98 94.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.22 -48.67 69.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -34.93 79.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 4.9 m -66.39 -37.82 86.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -68.96 -49.14 60.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 725' ' ' CYS . . . . . 0.444 ' O ' HG23 ' A' ' 728' ' ' THR . 40.4 m -62.85 -27.75 69.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.59 -36.88 62.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -96.04 53.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 728' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 725' ' ' CYS . 1.1 p -91.88 179.13 5.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 729' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 111.13 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 55.8 p90 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.871 0.367 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -59.74 -51.03 71.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.03 -27.59 68.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.72 -47.32 84.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 743' ' ' THR . . . . . 0.785 HG23 ' HB1' ' A' ' 672' ' ' ALA . 27.0 m -57.95 -37.61 74.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -69.69 -34.88 74.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -70.4 -45.08 66.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 746' ' ' VAL . . . . . 0.735 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.1 m -66.73 -38.62 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 747' ' ' ILE . . . . . 0.553 ' CD1' HG22 ' A' ' 743' ' ' THR . 47.6 mt -63.68 -44.92 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.09 -46.65 88.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 85.3 m -67.62 -42.19 82.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 750' ' ' ALA . . . . . 0.419 ' HB1' HD21 ' A' ' 669' ' ' LEU . . . -65.12 -42.29 94.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.43 -35.89 80.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -69.95 -48.5 58.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 753' ' ' ILE . . . . . 0.486 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.19 -34.69 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.6 -44.12 78.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -32.01 65.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.88 -29.03 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.79 -30.9 70.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 758' ' ' LYS . . . . . 0.405 ' HA ' HG12 ' A' ' 761' ' ' VAL . 7.1 mtpt -58.82 -38.34 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.35 -29.36 62.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -39.38 38.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 761' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 758' ' ' LYS . 10.0 p -71.38 -35.68 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.1 t -72.21 -34.8 68.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.0 mm -66.77 -40.54 86.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 764' ' ' THR . . . . . 0.666 HG21 HG11 ' A' ' 654' ' ' VAL . 74.2 p -69.01 -41.59 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 91.5 m -65.38 -49.01 70.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -65.45 -32.65 74.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.902 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.845 0.355 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.01 -61.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 153.34 -121.94 1.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.69 160.61 2.68 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.564 0.697 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.685 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.3 Cg_endo -69.76 152.12 69.24 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.533 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.8 OUTLIER -94.31 135.51 24.29 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.572 0.701 . . . . 0.0 110.867 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -49.11 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.724 2.283 . . . . 0.0 112.329 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -113.82 -148.85 10.06 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.703 HD23 ' CE2' ' A' ' 698' ' ' PHE . 0.5 OUTLIER -104.37 152.69 39.32 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.651 0.739 . . . . 0.0 110.912 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -50.76 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.7 2.267 . . . . 0.0 112.369 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 654' ' ' VAL . 5.1 m -123.78 120.61 33.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.43 -53.35 44.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -58.43 -48.41 80.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.525 ' HA ' HD21 ' A' ' 656' ' ' LEU . 37.4 m-20 -51.39 -36.68 44.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.791 HG11 HG21 ' A' ' 764' ' ' THR . 85.4 t -69.2 -47.25 75.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.46 -52.94 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.37 -29.93 70.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.734 ' O ' HG23 ' A' ' 661' ' ' VAL . 4.4 mmtp -70.93 -36.75 72.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.427 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.4 OUTLIER -82.42 -44.42 16.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -57.78 -36.36 72.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -71.8 -30.92 66.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 657' ' ' LYS . 73.5 t -63.76 -45.05 98.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.163 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.661 ' HA ' HD12 ' A' ' 665' ' ' ILE . 68.3 p -60.86 -37.66 82.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.35 -43.06 78.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -60.97 -34.45 74.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.661 HD12 ' HA ' ' A' ' 662' ' ' THR . 16.5 mt -69.31 -39.92 79.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -55.79 -34.43 65.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -61.29 -38.97 88.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.07 -38.41 72.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.558 HD21 ' CB ' ' A' ' 750' ' ' ALA . 24.1 mt -70.04 -49.16 54.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -60.44 -37.1 79.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' A' ' 676' ' ' LYS . . . -68.26 -29.03 67.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.732 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.13 -48.98 48.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -64.21 -26.49 68.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -95.46 7.84 45.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 51.76 73.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.421 ' HB2' ' HB1' ' A' ' 671' ' ' ALA . 14.2 mmmt -128.85 66.0 1.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -55.59 -33.44 63.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -71.41 -22.24 61.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 75.5 m -91.21 -5.27 55.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.847 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . 0.742 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -72.08 -36.55 69.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.563 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.72 -56.15 33.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.749 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.563 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.0 Cg_endo -69.76 -42.63 3.24 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.645 2.23 . . . . 0.0 112.334 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.72 ' HB3' HD22 ' A' ' 668' ' ' LEU . 10.9 m -58.24 -38.96 77.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 1.4 t -75.02 -32.34 61.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -69.15 -47.53 64.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -58.3 -33.53 69.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.455 HD11 ' HB2' ' A' ' 668' ' ' LEU . 66.3 mt -68.75 -37.77 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -64.77 -36.75 85.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.75 -46.77 81.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.66 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.19 -36.59 84.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.151 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.724 HG13 ' HG ' ' A' ' 714' ' ' LEU . 89.5 t -68.27 -51.47 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 51.6 m -67.15 -43.54 82.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.142 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.92 -42.64 94.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -50.1 66.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -60.58 -36.79 79.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -36.57 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -62.87 -20.79 65.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.703 ' CE2' HD23 ' A' ' 648' ' ' LEU . 88.2 m-85 -88.32 153.94 51.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.672 0.749 . . . . 0.0 110.887 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.89 20.24 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.67 2.247 . . . . 0.0 112.4 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.66 -6.98 50.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.0 92.67 4.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.59 0.709 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 155.13 66.79 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.685 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.9 16.06 20.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.444 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.3 OUTLIER -111.02 137.14 49.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.653 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 2.9 mt-10 -62.01 -51.7 73.09 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.635 0.731 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.78 -28.78 24.76 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 20.9 t -66.9 -37.13 78.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -65.91 -46.05 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 26.3 m -75.16 -36.51 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . 0.425 ' HB3' HD23 ' A' ' 760' ' ' LEU . 18.4 m -58.99 -34.54 71.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.05 -29.78 67.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -72.6 -48.32 40.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.545 HD13 ' HB1' ' A' ' 756' ' ' ALA . 3.3 pp -71.74 -40.33 69.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.724 ' HG ' HG13 ' A' ' 691' ' ' VAL . 4.3 tp -61.46 -51.21 69.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -64.88 -40.32 94.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -66.98 -33.83 76.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.8 -48.15 81.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . 0.664 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -68.72 -29.94 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -45.97 58.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -45.3 93.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -40.63 89.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -47.12 78.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 17.1 t -66.25 -38.5 88.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.14 -49.57 55.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . 0.715 ' O ' HG23 ' A' ' 728' ' ' THR . 18.3 m -69.44 -27.8 65.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -53.79 -36.79 62.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.82 70.41 1.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 725' ' ' CYS . 3.7 p -90.55 -177.63 5.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.866 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.4 t -119.13 65.1 7.38 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.657 0.742 . . . . 0.0 111.125 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.932 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.8 Cg_endo -69.76 -25.99 28.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.338 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.932 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.9 Cg_endo -69.76 -165.31 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.385 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.451 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 1.3 pt-20 -50.25 156.33 1.45 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.65 0.738 . . . . 0.0 110.919 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 54.0 Cg_endo -69.73 -15.36 37.15 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.382 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -92.09 7.56 78.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.617 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -50.99 161.84 0.65 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.71 . . . . 0.0 111.106 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.617 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.9 Cg_endo -69.73 -37.55 9.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.53 ' HB ' HG22 ' A' ' 729' ' ' VAL . 44.7 t -51.05 147.91 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.093 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -89.73 83.01 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -51.84 -40.07 59.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -60.07 -41.95 93.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -27.82 61.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -49.66 76.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . 0.732 HG23 ' HB1' ' A' ' 672' ' ' ALA . 1.3 m -57.97 -37.46 74.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -69.6 -35.0 74.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -70.23 -45.06 67.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . 0.742 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.0 m -66.99 -38.85 82.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.097 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.66 -46.81 91.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -61.85 -46.11 90.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 5.6 t -66.72 -47.8 71.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . 0.558 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -61.74 -42.2 98.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.37 -35.82 80.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -69.03 -48.26 63.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . 0.447 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.05 -34.74 72.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.486 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.63 -44.18 78.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.072 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 32.0 mtmt -71.92 -35.23 69.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -60.84 -26.91 67.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.62 -32.37 65.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . 0.403 ' HA ' HG12 ' A' ' 761' ' ' VAL . 15.2 mtpt -58.79 -38.31 78.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -72.99 -28.48 62.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 764' ' ' THR . 0.3 OUTLIER -78.51 -39.26 38.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.427 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.4 p -71.62 -36.49 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.126 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.2 t -70.84 -33.64 70.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.71 -38.96 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.791 HG21 HG11 ' A' ' 654' ' ' VAL . 29.3 p -68.97 -41.99 77.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 95.9 m -66.03 -49.1 68.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -65.15 -31.56 72.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.85 153.25 37.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.87 -35.93 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 52.7 57.82 6.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 179.912 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.812 0.339 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.58 164.61 14.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -108.95 141.37 15.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.02 160.48 0.12 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.622 0.725 . . . . 0.0 110.834 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.691 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.1 Cg_endo -69.72 152.2 69.46 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.748 2.298 . . . . 0.0 112.351 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 2.7 t70 -96.72 136.83 21.52 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.544 0.688 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.13 0.59 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.32 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -111.21 -144.71 9.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.683 HD22 HG21 ' A' ' 654' ' ' VAL . 0.4 OUTLIER -113.01 152.46 44.96 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.572 0.701 . . . . 0.0 110.943 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.638 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.9 m -123.46 120.57 33.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.7 m -65.7 -52.49 50.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.145 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.68 -48.26 80.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.539 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.5 t70 -51.1 -37.09 43.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.778 HG11 HG21 ' A' ' 764' ' ' THR . 95.9 t -69.28 -46.72 76.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.82 -52.81 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.7 pp -64.01 -30.94 71.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.737 ' O ' HG23 ' A' ' 661' ' ' VAL . 1.4 mmtt -70.63 -36.32 73.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.96 -44.18 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -57.85 -36.65 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -71.63 -30.73 66.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.793 HG22 ' HB1' ' A' ' 690' ' ' ALA . 71.1 t -64.17 -46.06 94.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.688 ' HA ' HD12 ' A' ' 665' ' ' ILE . 75.8 p -59.63 -35.84 75.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.27 -43.88 76.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -60.73 -36.99 80.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.0 mt -66.22 -40.59 87.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -34.49 66.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -61.31 -38.27 86.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.33 -39.33 71.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.545 HD21 ' CB ' ' A' ' 750' ' ' ALA . 23.5 mt -69.64 -49.34 54.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -60.01 -36.96 78.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -70.09 -30.1 67.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.415 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.8 -49.15 49.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -62.32 -38.25 88.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -80.78 -2.9 49.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 61.49 73.47 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -132.25 75.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -60.41 -29.98 69.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -71.4 -22.77 61.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.93 -6.72 53.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . 0.741 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.2 m-30 -71.48 -34.4 70.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.569 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -58.22 -56.23 37.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.639 0.733 . . . . 0.0 111.093 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.4 Cg_endo -69.77 -43.28 2.74 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.632 2.221 . . . . 0.0 112.36 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.694 ' HB3' HD22 ' A' ' 668' ' ' LEU . 15.5 m -58.15 -37.17 74.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 2.1 t -75.46 -32.19 60.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -71.86 -47.34 53.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt -57.58 -35.82 70.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.541 ' O ' HG23 ' A' ' 691' ' ' VAL . 58.0 mt -67.44 -37.3 78.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -64.89 -36.8 85.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.6 mt -57.18 -49.28 76.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.793 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.81 -36.39 83.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.7 HG13 ' HG ' ' A' ' 714' ' ' LEU . 98.1 t -68.59 -51.5 45.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.164 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 92.0 m -67.11 -43.66 81.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.94 -35.59 73.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . 0.45 ' O ' HD23 ' A' ' 697' ' ' LEU . 3.0 ttp -65.15 -50.67 65.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -52.78 -36.75 58.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.088 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 30.5 t -55.9 -32.47 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.7 -20.98 65.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.615 ' CE1' HD23 ' A' ' 648' ' ' LEU . 88.6 m-85 -96.94 155.44 37.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 174.12 10.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.94 -24.01 21.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -150.11 117.81 3.59 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.64 0.733 . . . . 0.0 110.809 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.31 38.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.673 2.249 . . . . 0.0 112.374 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.691 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -120.33 21.01 11.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.42 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.3 OUTLIER -119.9 139.98 51.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.638 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 10.7 mt-10 -61.46 -52.69 68.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.738 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.5 Cg_endo -69.76 -29.51 23.75 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 28.4 t -66.74 -38.54 81.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -65.32 -46.23 81.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 58.1 m -73.42 -39.46 65.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 34.7 m -59.29 -29.84 67.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.17 -29.95 63.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -72.3 -48.38 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.4 pp -70.49 -39.19 74.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.7 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.5 tp -63.67 -51.26 65.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -65.17 -46.06 82.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.84 76.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.8 -42.64 99.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -73.02 -30.0 63.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.055 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -71.45 -46.06 61.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 17.6 mtt85 -62.6 -43.83 97.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -40.15 88.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.11 -47.05 78.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 31.2 t -66.57 -38.45 87.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -69.14 -49.94 52.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . 0.733 ' O ' HG23 ' A' ' 728' ' ' THR . 17.6 m -69.45 -27.87 65.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -53.69 -36.76 62.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 6.1 mtmt -103.83 70.69 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 725' ' ' CYS . 5.1 p -88.79 -177.85 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.858 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.2 t -119.4 64.89 8.06 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.683 0.754 . . . . 0.0 111.124 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.931 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.1 Cg_endo -69.83 -26.05 27.66 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.698 2.265 . . . . 0.0 112.288 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.931 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.3 Cg_endo -69.8 -164.96 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.629 2.219 . . . . 0.0 112.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.451 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 16.5 pt-20 -49.53 155.82 1.26 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.7 Cg_endo -69.77 -17.99 37.2 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.723 2.282 . . . . 0.0 112.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -90.06 8.54 79.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.479 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.619 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.53 161.71 0.8 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.598 0.713 . . . . 0.0 111.066 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.619 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 54.0 Cg_endo -69.78 -37.0 9.73 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.509 ' CG1' HG22 ' A' ' 729' ' ' VAL . 41.0 t -51.03 148.55 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.157 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.56 81.37 4.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -51.9 -38.63 56.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -56.36 -43.25 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -27.9 61.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -49.45 77.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . 0.415 HG23 ' HB1' ' A' ' 672' ' ' ALA . 0.2 OUTLIER -57.99 -37.91 75.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -69.06 -34.99 76.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -70.01 -45.0 68.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . 0.741 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.3 m -67.87 -39.01 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.0 mt -64.59 -49.3 81.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -62.1 -45.92 91.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 71.7 m -65.08 -47.9 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . 0.545 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -63.1 -42.0 99.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.042 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.48 -35.76 79.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.33 -48.28 61.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . 0.505 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.06 -34.8 72.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.084 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.456 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.72 -43.93 78.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -66.08 -32.91 74.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.89 -26.96 67.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.097 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -64.52 -30.13 71.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 761' ' ' VAL . 9.2 mtpt -66.72 -39.85 88.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -73.99 -31.28 62.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . 0.692 ' O ' HG23 ' A' ' 764' ' ' THR . 0.4 OUTLIER -78.94 -37.8 38.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 758' ' ' LYS . 7.0 p -72.96 -32.26 39.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.2 t -76.93 -35.19 57.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.9 mm -66.57 -38.79 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.778 HG21 HG11 ' A' ' 654' ' ' VAL . 43.0 p -67.96 -43.35 79.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.4 m -66.16 -49.19 68.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -24.23 62.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -51.78 161.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -63.2 -26.63 68.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.75 93.39 9.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 179.886 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.837 0.351 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -141.39 -74.69 0.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 165.87 123.16 0.64 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.521 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.98 156.35 0.12 Allowed Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.564 0.697 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.719 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.7 Cg_endo -69.76 152.08 69.21 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.632 2.221 . . . . 0.0 112.364 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.54 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 2.1 t70 -92.78 134.29 27.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.551 0.691 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -49.19 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.303 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . 0.555 ' C ' HD23 ' A' ' 648' ' ' LEU . . . -116.42 -131.5 4.76 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.495 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.819 HD13 HG21 ' A' ' 654' ' ' VAL . 0.3 OUTLIER -124.98 154.28 71.22 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.639 0.733 . . . . 0.0 110.921 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -51.76 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.326 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.71 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.4 m -124.22 120.7 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.78 -53.07 45.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.135 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -57.92 -48.66 79.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.49 ' HA ' HD21 ' A' ' 656' ' ' LEU . 3.1 t0 -51.25 -35.96 39.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.819 HG21 HD13 ' A' ' 648' ' ' LEU . 98.1 t -70.08 -46.94 70.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.64 -53.26 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 653' ' ' ASP . 4.4 pp -64.46 -29.25 70.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.745 ' O ' HG23 ' A' ' 661' ' ' VAL . 3.4 mmtm -71.17 -36.6 72.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.445 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.5 -44.37 16.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.136 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -57.58 -36.18 71.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -71.79 -30.49 65.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.841 HG22 ' HB1' ' A' ' 690' ' ' ALA . 72.6 t -63.06 -47.4 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.711 ' HA ' HD12 ' A' ' 665' ' ' ILE . 68.9 p -58.92 -36.5 74.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -68.25 -44.67 75.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -60.67 -31.75 70.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 662' ' ' THR . 17.5 mt -72.19 -38.14 61.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.161 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.67 -34.9 69.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.62 -36.1 79.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.09 -38.02 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.67 -49.02 64.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -60.51 -37.24 80.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -66.69 -32.84 74.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.416 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.29 -49.14 45.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -62.72 -24.08 67.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -95.21 10.81 34.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 51.48 66.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.3 mmmt -129.22 85.6 2.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -64.94 -38.55 91.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -69.37 -23.46 63.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 39.5 m -75.49 -15.02 60.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -71.95 -35.34 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.544 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -54.84 -57.26 20.17 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.624 0.726 . . . . 0.0 111.093 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.8 Cg_endo -69.75 -44.54 2.03 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.67 2.246 . . . . 0.0 112.357 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.701 ' HB3' HD22 ' A' ' 668' ' ' LEU . 23.3 m -59.97 -33.77 72.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 65.0 m -75.52 -32.42 60.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -68.58 -48.32 64.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.7 ptpm? -58.67 -39.14 79.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.568 ' O ' HG23 ' A' ' 691' ' ' VAL . 57.6 mt -65.53 -37.33 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -63.43 -37.16 86.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.44 -50.3 73.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.841 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.36 -36.47 82.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.771 HG13 ' HG ' ' A' ' 714' ' ' LEU . 92.1 t -67.96 -51.42 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.119 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 94.6 m -67.19 -43.32 82.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.94 -38.95 80.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -49.58 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.34 83.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 43.4 t -55.41 -38.13 68.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.78 -21.01 65.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.443 ' CE1' HD22 ' A' ' 648' ' ' LEU . 72.5 m-85 -94.65 153.64 40.16 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.584 0.707 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 176.61 6.52 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.391 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -3.78 37.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 702' ' ' PRO . 6.9 ttm180 -154.29 93.53 2.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 701' ' ' ARG . 53.7 Cg_endo -69.79 159.34 53.76 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 0.0 112.332 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.719 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.35 7.44 20.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.49 136.74 38.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.642 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 1.9 mt-10 -61.71 -51.57 75.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.3 Cg_endo -69.8 -29.11 24.17 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.64 2.226 . . . . 0.0 112.337 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.68 -36.45 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -65.31 -46.08 81.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 43.2 m -75.27 -39.6 59.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 43.8 t -59.31 -32.73 70.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.21 -29.7 68.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -72.61 -48.31 40.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.4 pp -72.14 -39.95 68.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.771 ' HG ' HG13 ' A' ' 691' ' ' VAL . 2.0 tp -62.97 -51.05 68.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -65.08 -41.14 95.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.92 76.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 1.7 m -61.9 -48.04 82.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.88 68.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -74.79 -45.38 43.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -62.01 -45.36 93.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -38.93 83.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.96 -45.59 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 6.1 t -66.16 -37.73 86.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -66.84 -49.38 65.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . 0.6 ' O ' HG23 ' A' ' 728' ' ' THR . 12.3 p -69.17 -27.02 65.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -36.93 84.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . 0.467 ' O ' HD21 ' A' ' 742' ' ' LEU . 1.0 OUTLIER -105.71 74.11 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 725' ' ' CYS . 50.7 p -102.59 -175.77 2.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.86 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.7 t -119.57 64.93 8.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.656 0.741 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.927 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.1 Cg_endo -69.74 -26.08 28.02 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.927 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.8 Cg_endo -69.75 -165.0 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.267 . . . . 0.0 112.356 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.451 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.7 OUTLIER -50.06 156.36 1.36 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.7 Cg_endo -69.76 -14.53 36.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.623 2.216 . . . . 0.0 112.368 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -93.89 8.55 73.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.2 161.49 0.74 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.621 0.724 . . . . 0.0 111.075 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.5 Cg_endo -69.79 -37.29 9.3 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.694 2.262 . . . . 0.0 112.364 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.567 ' HB ' HG22 ' A' ' 729' ' ' VAL . 48.7 t -51.0 147.26 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.84 85.69 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -51.88 -30.07 22.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -60.21 -43.91 95.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.7 -28.54 61.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.467 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.3 OUTLIER -58.87 -50.96 72.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . 0.459 HG22 HD11 ' A' ' 747' ' ' ILE . 1.8 m -59.83 -36.55 77.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -69.59 -35.18 75.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -70.02 -45.44 67.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.4 m -66.55 -38.75 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . 0.459 HD11 HG22 ' A' ' 743' ' ' THR . 56.3 mt -66.3 -49.93 71.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -59.51 -46.44 88.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 93.7 m -63.74 -44.58 93.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.32 94.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -67.8 -35.76 79.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -70.0 -48.47 57.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . 0.413 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.0 -34.19 68.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.527 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.35 -44.0 80.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.93 -29.01 70.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -68.76 -34.24 75.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -62.01 -33.66 74.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . 0.411 ' HA ' HG12 ' A' ' 761' ' ' VAL . 10.7 mtpt -66.78 -39.59 87.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.11 -31.53 62.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 1.3 tt -78.69 -37.61 41.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.445 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.1 p -73.22 -32.27 37.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.2 t -77.14 -35.17 56.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.49 -41.85 89.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.575 HG21 HG11 ' A' ' 654' ' ' VAL . 75.4 p -69.03 -41.05 78.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 89.3 m -65.54 -48.36 72.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -65.63 -31.71 72.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -59.64 153.83 19.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.26 35.37 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.13 85.76 2.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.936 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -150.31 -169.97 3.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -128.35 -66.45 0.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.498 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.83 160.03 31.22 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.607 0.718 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.705 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.4 Cg_endo -69.77 152.27 69.22 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.641 2.228 . . . . 0.0 112.327 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.475 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 2.4 t70 -97.28 136.88 21.22 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.631 0.729 . . . . 0.0 110.83 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.1 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.248 . . . . 0.0 112.302 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -106.38 -147.86 15.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.845 HD13 HG21 ' A' ' 654' ' ' VAL . 0.2 OUTLIER -113.14 157.35 41.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.596 0.712 . . . . 0.0 110.915 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -52.26 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.71 2.274 . . . . 0.0 112.287 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.595 ' O ' HG23 ' A' ' 654' ' ' VAL . 6.2 m -124.4 119.88 30.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -66.42 -53.22 38.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.122 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -57.65 -47.54 81.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.525 ' HA ' HD21 ' A' ' 656' ' ' LEU . 11.3 m-20 -50.71 -37.22 40.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.845 HG21 HD13 ' A' ' 648' ' ' LEU . 85.9 t -69.24 -47.1 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.83 -52.62 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -65.08 -30.23 71.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.739 ' O ' HG23 ' A' ' 661' ' ' VAL . 4.5 mmtp -71.28 -36.81 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.576 HG21 ' CG2' ' A' ' 761' ' ' VAL . 0.8 OUTLIER -82.02 -44.53 16.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -57.45 -36.46 71.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.414 HE21 ' HB2' ' A' ' 690' ' ' ALA . 14.9 pt20 -71.92 -30.77 65.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 657' ' ' LYS . 68.1 t -63.72 -45.54 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.72 ' HA ' HD12 ' A' ' 665' ' ' ILE . 72.4 p -60.72 -36.91 80.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.31 -44.14 76.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -60.8 -35.4 76.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.72 HD12 ' HA ' ' A' ' 662' ' ' THR . 14.4 mt -67.43 -37.97 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.09 -34.55 72.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -61.43 -36.24 79.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.8 -37.89 73.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.38 -49.03 65.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -60.42 -37.46 80.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.78 -30.61 71.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.567 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.62 -49.29 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.087 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -64.37 -23.53 67.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -93.2 10.02 33.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 51.65 62.87 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -127.1 84.27 2.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 15.4 m-70 -64.86 -38.67 91.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.32 -22.89 63.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 34.1 m -75.48 -14.94 60.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.5 m-30 -71.61 -35.39 70.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.545 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.11 -57.26 20.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.647 0.737 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.8 Cg_endo -69.74 -44.69 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.744 2.296 . . . . 0.0 112.324 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.729 ' HB3' HD22 ' A' ' 668' ' ' LEU . 25.8 m -59.74 -35.08 73.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 687' ' ' ILE . 9.9 t -74.69 -32.2 62.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -69.72 -47.63 62.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -58.6 -34.32 70.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.48 HD12 HD23 ' A' ' 668' ' ' LEU . 52.8 mt -68.67 -37.78 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.116 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -64.13 -36.57 84.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.9 -48.06 79.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.697 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.09 -36.7 84.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.762 HG13 ' HG ' ' A' ' 714' ' ' LEU . 96.1 t -67.31 -51.77 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 59.5 m -67.45 -43.12 81.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -62.25 -43.1 99.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 1.7 ttt -65.08 -50.06 67.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.35 83.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 20.0 t -55.82 -36.98 68.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -63.08 -22.94 67.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.625 ' CE2' HD22 ' A' ' 648' ' ' LEU . 48.3 m-85 -86.25 151.6 54.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 148.32 64.86 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.371 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -20.11 40.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -130.33 87.12 51.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.716 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 153.16 69.23 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.705 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -112.84 20.93 16.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.449 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.3 OUTLIER -116.86 137.9 51.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.648 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 12.3 mt-10 -61.57 -51.92 73.4 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.707 0.765 . . . . 0.0 110.913 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.7 Cg_endo -69.81 -29.53 23.46 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.1 t -66.75 -39.05 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.3 mtm180 -65.68 -46.03 80.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 59.0 m -73.47 -37.06 65.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 5.2 t -59.01 -34.55 72.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -29.8 68.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -72.48 -48.49 40.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.81 HD13 ' HB1' ' A' ' 756' ' ' ALA . 3.3 pp -71.52 -40.53 70.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.762 ' HG ' HG13 ' A' ' 691' ' ' VAL . 19.4 tp -64.62 -50.45 67.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -65.15 -40.57 94.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.12 -33.83 76.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.74 -48.1 82.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . 0.489 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -63.11 -29.93 71.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.126 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -76.52 -46.01 28.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -60.96 -44.18 97.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.06 -44.98 94.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -56.95 -34.89 68.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.48 -37.57 85.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -68.9 -49.38 58.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . 0.494 ' O ' HG23 ' A' ' 728' ' ' THR . 7.2 p -65.39 -26.64 68.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.88 -49.1 77.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . 0.654 ' O ' HD21 ' A' ' 742' ' ' LEU . 6.1 mtmt -96.05 71.25 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 725' ' ' CYS . 14.4 p -100.33 -177.75 3.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.174 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.865 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.7 t -119.89 64.82 9.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.648 0.737 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.921 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.6 Cg_endo -69.74 -26.06 28.05 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.384 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.921 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.1 Cg_endo -69.75 -165.11 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.264 . . . . 0.0 112.335 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.452 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 1.1 pt-20 -49.61 156.43 1.17 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.671 0.748 . . . . 0.0 110.905 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 54.1 Cg_endo -69.76 -13.79 35.16 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -95.24 8.97 69.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -50.96 161.47 0.68 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 111.059 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.9 Cg_endo -69.74 -37.25 9.48 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.584 ' HB ' HG22 ' A' ' 729' ' ' VAL . 52.0 t -51.02 146.95 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.17 84.81 5.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -52.12 -24.68 7.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -67.93 -45.79 73.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -29.26 61.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.654 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.2 OUTLIER -58.97 -50.23 74.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . 0.567 HG23 ' HB1' ' A' ' 672' ' ' ALA . 3.4 m -58.12 -32.84 68.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -69.23 -35.42 76.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -69.19 -45.14 70.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.6 m -67.86 -38.85 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . 0.557 ' CD1' HG22 ' A' ' 743' ' ' THR . 60.4 mt -66.99 -50.26 66.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -59.18 -46.35 88.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 2.1 t -64.79 -48.16 75.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -59.17 -43.93 92.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -67.75 -35.66 79.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -70.53 -48.21 56.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -34.19 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.587 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.25 -44.13 80.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.079 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -74.09 -37.13 64.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . 0.81 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -61.83 -26.97 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.11 -22.14 61.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . 0.527 ' HA ' HG12 ' A' ' 761' ' ' VAL . 7.7 mtpt -68.46 -30.28 69.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -73.22 -41.26 63.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 761' ' ' VAL . 4.4 pp -77.87 -29.03 50.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.644 ' N ' HD12 ' A' ' 760' ' ' LEU . 1.4 p -80.73 -30.95 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 10.7 t -78.81 -32.64 46.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 7.4 mm -66.39 -38.93 82.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 760' ' ' LEU . 72.1 p -67.62 -43.35 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.7 m -66.38 -48.99 68.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -22.52 61.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -51.7 166.22 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -95.78 28.04 3.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.3 23.51 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.789 0.328 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -163.18 -170.4 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -89.81 -134.63 5.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.449 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.15 160.57 6.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.553 0.692 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.69 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.1 Cg_endo -69.8 152.26 69.04 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.716 2.277 . . . . 0.0 112.287 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.426 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.9 OUTLIER -97.57 137.34 21.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.654 0.74 . . . . 0.0 110.869 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . 0.483 ' O ' HD13 ' A' ' 704' ' ' LEU . 54.2 Cg_endo -69.72 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.242 . . . . 0.0 112.405 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . 0.489 ' C ' HD13 ' A' ' 648' ' ' LEU . . . -107.97 -149.7 14.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.561 HD12 ' CE2' ' A' ' 698' ' ' PHE . 0.3 OUTLIER -107.48 152.36 41.32 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.58 0.705 . . . . 0.0 110.909 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -50.6 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.658 2.238 . . . . 0.0 112.352 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 654' ' ' VAL . 3.1 m -123.55 120.49 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.55 -53.29 44.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.108 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.86 -48.22 80.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.517 ' HA ' HD21 ' A' ' 656' ' ' LEU . 57.4 m-20 -51.57 -37.05 47.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.733 HG11 HG21 ' A' ' 764' ' ' THR . 96.6 t -69.19 -47.19 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.19 -52.63 53.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.517 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.85 -30.25 71.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.729 ' O ' HG23 ' A' ' 661' ' ' VAL . 1.5 mmtt -71.08 -36.67 72.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.31 -44.39 16.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.58 -36.5 71.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -71.61 -30.84 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 657' ' ' LYS . 79.0 t -64.14 -44.86 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.713 ' HA ' HD12 ' A' ' 665' ' ' ILE . 82.2 p -61.18 -36.8 80.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.3 -44.65 75.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -60.81 -31.92 71.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.7 mt -71.52 -37.78 65.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.58 -34.25 75.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -61.13 -36.72 80.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.09 -38.14 72.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 669' ' ' LEU . 4.2 mm? -66.7 -49.14 67.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -60.41 -37.41 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.05 -32.61 73.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.563 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.74 -48.91 51.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -64.06 -26.0 68.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.958 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -96.76 7.99 45.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 51.68 73.77 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -129.9 67.03 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -55.78 -32.56 63.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -71.39 -22.53 61.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 48.7 m -90.75 -5.73 55.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . 0.733 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -72.14 -35.22 69.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.561 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -56.1 -56.49 30.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.612 0.72 . . . . 0.0 111.152 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.8 -44.93 1.76 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.724 2.282 . . . . 0.0 112.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.736 ' HB3' HD22 ' A' ' 668' ' ' LEU . 29.2 m -59.21 -39.81 83.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . 0.427 ' HA ' HD12 ' A' ' 687' ' ' ILE . 6.7 t -74.78 -32.25 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -72.21 -46.99 53.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -57.53 -33.55 68.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.485 HD12 HD23 ' A' ' 668' ' ' LEU . 52.9 mt -68.04 -37.55 78.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . 0.55 ' HA ' ' HB1' ' A' ' 718' ' ' ALA . 38.6 t-80 -65.82 -37.12 85.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 6.2 mt -56.92 -45.63 82.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.682 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.02 -36.58 84.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.827 HG21 ' HB2' ' A' ' 718' ' ' ALA . 94.1 t -69.38 -51.38 43.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 63.5 m -66.39 -42.99 87.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.91 -37.64 77.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -50.07 67.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.904 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -60.28 -36.19 77.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 4.6 t -55.98 -32.36 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.458 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -70.27 -20.84 63.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.938 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.561 ' CE2' HD12 ' A' ' 648' ' ' LEU . 41.5 m-85 -84.97 158.09 59.22 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.614 0.721 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 167.31 24.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.667 2.244 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.17 -29.76 14.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -148.56 121.09 4.49 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.586 0.707 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.67 30.18 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.69 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -122.27 25.14 9.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.561 HD23 HG23 ' A' ' 707' ' ' VAL . 1.2 tp -125.48 139.73 53.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.647 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 2.3 mt-10 -61.32 -51.97 74.11 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.734 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.77 -29.67 23.43 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.701 2.268 . . . . 0.0 112.333 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . 0.561 HG23 HD23 ' A' ' 704' ' ' LEU . 24.8 t -66.77 -38.95 82.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -65.41 -46.2 80.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 67.1 m -72.79 -39.35 66.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 3.4 t -59.36 -29.95 68.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.1 tp -73.05 -30.02 63.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -72.28 -48.12 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.4 pp -70.89 -39.37 72.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.669 ' HG ' HG13 ' A' ' 691' ' ' VAL . 5.0 tp -61.86 -51.12 69.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.961 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -65.14 -40.07 93.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.87 -34.03 77.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -48.08 82.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . 0.827 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -73.06 -39.39 65.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -65.03 -36.54 84.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 10.9 mtt85 -71.7 -42.2 67.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.63 -47.0 85.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.13 -41.02 99.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 30.3 t -66.02 -43.63 87.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -68.63 -48.89 62.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . 0.497 ' O ' HG23 ' A' ' 728' ' ' THR . 33.2 m -66.94 -27.71 67.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -36.8 66.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -102.16 37.98 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.497 HG23 ' O ' ' A' ' 725' ' ' CYS . 0.9 OUTLIER -59.99 178.99 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.888 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 8.4 p -125.85 57.37 18.5 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.595 0.712 . . . . 0.0 111.176 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.936 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.0 Cg_endo -69.73 -25.19 29.01 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.665 2.244 . . . . 0.0 112.331 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.936 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.1 Cg_endo -69.73 -90.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.483 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.8 OUTLIER -133.38 157.61 77.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.643 0.735 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.2 Cg_endo -69.81 -17.32 37.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -70.89 -12.39 71.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.479 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.681 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -57.58 163.46 3.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 111.055 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.681 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.6 Cg_endo -69.75 -7.35 20.83 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.718 2.279 . . . . 0.0 112.307 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 99.0 t -100.42 124.63 54.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.4 110.46 12.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . 0.685 ' HB3' HG11 ' A' ' 729' ' ' VAL . 27.7 p90 -58.89 -32.63 69.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -62.71 -39.63 94.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.17 -27.83 61.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -51.23 70.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . 0.563 HG23 ' HB1' ' A' ' 672' ' ' ALA . 1.5 m -57.95 -38.54 76.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -34.57 74.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -71.04 -45.04 64.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . 0.733 HG11 ' CE2' ' A' ' 680' ' ' PHE . 27.2 m -66.86 -38.87 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . 0.444 HD11 HG22 ' A' ' 743' ' ' THR . 51.4 mt -65.38 -50.35 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -62.49 -45.92 90.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 52.0 m -64.97 -48.05 75.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . 0.446 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -60.26 -41.98 94.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -67.32 -35.9 80.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -70.23 -48.53 56.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . 0.424 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.16 -34.53 70.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.164 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.484 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.39 -44.05 79.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -65.93 -37.75 86.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -61.01 -26.97 67.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.06 -43.58 87.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -58.91 -38.16 78.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -28.38 62.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . 0.593 ' O ' HG23 ' A' ' 764' ' ' THR . 0.2 OUTLIER -78.67 -39.29 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.61 -36.48 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.3 t -70.53 -33.0 70.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.49 -41.52 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.733 HG21 HG11 ' A' ' 654' ' ' VAL . 19.5 p -69.01 -41.43 77.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 86.2 m -64.04 -48.49 76.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -67.86 -32.09 72.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.2 169.54 2.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -53.42 -28.6 30.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 107.94 4.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.828 0.347 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.42 -172.12 1.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -108.28 125.58 7.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 63.07 160.08 0.12 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.721 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.2 Cg_endo -69.73 152.11 69.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.342 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.512 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 6.6 t70 -94.05 135.22 24.86 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.603 0.716 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -49.01 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.393 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . 0.466 ' C ' HD13 ' A' ' 648' ' ' LEU . . . -110.79 -148.68 11.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.596 HD12 ' CE2' ' A' ' 698' ' ' PHE . 0.3 OUTLIER -105.74 152.81 40.23 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.563 0.697 . . . . 0.0 110.95 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.694 ' O ' HG23 ' A' ' 654' ' ' VAL . 9.6 m -123.9 119.93 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.3 m -66.13 -53.6 35.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.71 -48.59 80.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.529 ' HA ' HD21 ' A' ' 656' ' ' LEU . 3.7 t70 -50.95 -36.8 40.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.771 HG11 HG21 ' A' ' 764' ' ' THR . 78.3 t -69.29 -47.23 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.63 -52.87 52.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.529 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.29 -30.01 71.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.75 ' O ' HG23 ' A' ' 661' ' ' VAL . 1.5 mmtt -70.85 -36.96 73.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.666 HG22 ' HB1' ' A' ' 757' ' ' ALA . 0.4 OUTLIER -82.14 -44.48 16.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -57.94 -36.41 72.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 3.1 pt20 -71.78 -31.11 66.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 657' ' ' LYS . 68.5 t -63.39 -45.56 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.699 ' HA ' HD12 ' A' ' 665' ' ' ILE . 81.9 p -60.44 -37.02 79.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.5 -42.24 78.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . 0.434 ' N ' HD22 ' A' ' 664' ' ' ASN . 1.3 m-80 -62.81 -31.13 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 662' ' ' THR . 17.1 mt -72.56 -38.13 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -55.76 -34.79 65.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.54 -38.07 86.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.726 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.88 -38.31 73.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.532 HD21 ' CB ' ' A' ' 750' ' ' ALA . 22.7 mt -69.3 -49.18 58.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -60.79 -37.15 80.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.95 -30.51 68.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.417 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.89 -49.14 49.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -62.69 -37.03 84.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -81.78 -3.03 52.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 61.61 73.13 0.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -132.3 75.07 1.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -60.39 -29.83 69.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -71.44 -22.79 61.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.97 -6.39 54.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . 0.747 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -71.67 -37.58 70.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.565 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -54.78 -56.22 29.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.593 0.711 . . . . 0.0 111.106 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.0 Cg_endo -69.76 -44.23 2.2 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.347 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.726 ' HB3' HD22 ' A' ' 668' ' ' LEU . 18.5 m -58.49 -38.89 78.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 3.2 t -74.63 -32.28 62.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -72.31 -47.38 50.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.2 -34.57 70.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.54 HD12 HD23 ' A' ' 668' ' ' LEU . 58.4 mt -68.32 -37.5 78.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -64.51 -36.8 85.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.3 mt -56.88 -50.38 72.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.611 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -58.97 -36.48 74.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.762 HG21 ' HB2' ' A' ' 718' ' ' ALA . 94.6 t -66.32 -51.36 59.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 96.5 m -66.54 -41.68 88.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.98 -41.64 88.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . 0.466 ' HE2' HG13 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -65.25 -49.96 67.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -60.34 -36.31 77.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -36.21 66.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.873 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.433 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -65.69 -21.95 66.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.596 ' CE2' HD12 ' A' ' 648' ' ' LEU . 47.8 m-85 -86.58 150.88 52.09 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.653 0.739 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.79 36.97 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.627 2.218 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.42 -9.75 57.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.956 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.51 90.06 6.64 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.623 0.725 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 154.36 67.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.721 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -112.61 15.21 20.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.446 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.3 OUTLIER -111.78 137.26 49.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.973 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.655 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 17.4 mt-10 -62.01 -51.77 72.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.667 0.746 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.5 Cg_endo -69.71 -28.41 25.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.666 2.244 . . . . 0.0 112.377 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 18.4 t -67.12 -38.21 80.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -66.16 -45.33 81.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 2.3 t -75.11 -35.07 61.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 9.8 t -58.74 -36.0 73.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.29 -29.82 68.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -72.74 -48.42 38.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.3 pp -71.79 -40.59 69.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.724 ' HG ' HG13 ' A' ' 691' ' ' VAL . 4.6 tp -60.5 -51.26 70.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -65.16 -41.05 95.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.05 -33.79 76.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.068 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.92 -48.18 81.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . 0.762 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -71.59 -30.16 65.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -38.49 71.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -72.04 -45.15 61.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.89 -47.17 86.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -62.31 -43.61 98.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 10.0 t -66.32 -38.56 87.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -69.11 -49.5 56.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . 0.573 ' O ' HG23 ' A' ' 728' ' ' THR . 66.7 m -69.39 -27.61 65.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -53.6 -36.67 62.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -106.5 45.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.871 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 725' ' ' CYS . 1.4 p -66.88 -177.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.861 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.3 t -118.83 65.21 6.74 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.938 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.5 Cg_endo -69.77 -25.99 27.98 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.703 2.268 . . . . 0.0 112.374 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.938 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.6 Cg_endo -69.79 -165.37 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.67 2.247 . . . . 0.0 112.341 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.439 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.7 OUTLIER -50.31 156.36 1.47 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.627 0.727 . . . . 0.0 110.885 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 54.1 Cg_endo -69.77 -15.83 37.22 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.633 2.222 . . . . 0.0 112.352 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -91.02 7.08 81.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.533 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.624 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.1 161.87 0.67 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.593 0.711 . . . . 0.0 111.128 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.624 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.9 Cg_endo -69.75 -38.0 8.4 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.688 2.258 . . . . 0.0 112.334 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.516 ' HB ' HG22 ' A' ' 729' ' ' VAL . 44.2 t -51.17 147.99 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.78 87.25 7.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -51.91 -40.02 60.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -55.12 -57.2 12.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 53.9 mt -61.96 -27.63 68.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -51.01 71.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . 0.453 HG22 HD11 ' A' ' 747' ' ' ILE . 1.5 m -64.84 -36.4 84.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -69.69 -34.81 74.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -70.4 -45.14 66.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . 0.747 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.8 m -66.75 -38.71 82.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . 0.453 HD11 HG22 ' A' ' 743' ' ' THR . 53.6 mt -66.13 -50.08 71.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -62.56 -44.06 97.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 6.3 t -66.97 -48.31 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . 0.532 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -59.05 -44.04 91.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -67.67 -35.61 79.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -67.59 -48.58 66.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . 0.409 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.24 -34.64 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.57 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.71 -44.21 78.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -65.05 -31.75 73.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.85 -27.05 67.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . 0.666 ' HB1' HG22 ' A' ' 658' ' ' THR . . . -67.99 -29.61 68.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . 0.46 ' HA ' HG12 ' A' ' 761' ' ' VAL . 1.5 mmmm -67.28 -37.77 83.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -33.92 62.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . 0.648 ' O ' HG23 ' A' ' 764' ' ' THR . 0.3 OUTLIER -78.43 -36.16 45.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.46 HG12 ' HA ' ' A' ' 758' ' ' LYS . 9.6 p -74.3 -32.17 30.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.5 t -77.52 -34.82 53.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.78 -40.44 85.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.771 HG21 HG11 ' A' ' 654' ' ' VAL . 44.4 p -69.1 -41.47 77.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 95.2 m -65.98 -48.86 69.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.168 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -63.57 -32.97 74.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -55.28 152.14 8.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.94 62.26 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.75 109.99 3.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.851 0.357 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.02 159.56 1.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -87.06 132.62 11.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.97 156.35 0.12 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.702 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.3 Cg_endo -69.73 152.15 69.39 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.51 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.1 t70 -98.07 136.94 20.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.606 0.717 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -49.34 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -117.03 -143.8 7.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.527 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.871 HD13 HG21 ' A' ' 654' ' ' VAL . 0.6 OUTLIER -104.5 151.12 39.14 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.548 0.69 . . . . 0.0 110.935 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -51.62 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.662 2.241 . . . . 0.0 112.32 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.719 ' O ' HG23 ' A' ' 654' ' ' VAL . 5.6 m -124.15 121.39 34.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.8 m -64.56 -53.13 52.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . 0.448 ' OE2' HD23 ' A' ' 656' ' ' LEU . 0.2 OUTLIER -58.56 -48.12 81.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.539 ' HA ' HD21 ' A' ' 656' ' ' LEU . 4.8 t0 -51.79 -36.41 47.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.871 HG21 HD13 ' A' ' 648' ' ' LEU . 93.3 t -69.16 -47.08 76.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.61 -52.71 50.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.089 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.63 -30.02 71.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.745 ' O ' HG23 ' A' ' 661' ' ' VAL . 4.4 mmtp -70.79 -36.83 73.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.668 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.33 -44.39 16.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.179 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -57.82 -36.36 72.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 13.0 pt20 -71.93 -31.27 66.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 657' ' ' LYS . 67.2 t -62.79 -46.72 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.662 ' HA ' HD12 ' A' ' 665' ' ' ILE . 75.6 p -58.96 -37.53 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.47 -42.23 79.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -60.79 -35.22 75.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 662' ' ' THR . 14.1 mt -70.44 -40.5 77.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -33.88 65.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.67 -35.58 76.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.721 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.42 -40.1 70.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.09 -49.61 49.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -58.78 -36.61 74.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.95 -33.71 74.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.726 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.45 -49.34 42.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -59.91 -20.72 58.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -100.69 11.52 39.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 54.97 65.47 1.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.1 mmmt -129.34 81.62 2.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -64.51 -37.81 88.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.55 -23.09 63.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 34.5 m -75.46 -14.36 60.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -72.16 -38.19 69.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.538 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -52.14 -57.09 16.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.607 0.718 . . . . 0.0 111.117 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.2 Cg_endo -69.82 -43.11 2.8 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.362 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.721 ' HB3' HD22 ' A' ' 668' ' ' LEU . 10.4 m -58.1 -32.16 67.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 4.8 p -75.26 -32.48 61.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.11 -48.16 58.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -58.31 -37.5 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 691' ' ' VAL . 60.3 mt -67.2 -37.37 79.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -63.18 -37.17 86.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.3 mt -57.95 -50.08 74.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.619 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.74 -36.48 83.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.767 HG13 ' HG ' ' A' ' 714' ' ' LEU . 87.6 t -68.24 -51.55 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.167 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 61.6 m -67.17 -43.16 82.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -60.03 -37.89 81.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.31 -49.74 68.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -67.18 -36.53 81.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 1.9 m -55.59 -38.46 69.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.458 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.8 -20.53 65.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.548 ' CE1' HD22 ' A' ' 648' ' ' LEU . 69.2 m-85 -102.2 153.69 37.89 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.676 0.75 . . . . 0.0 110.87 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.22 66.65 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.367 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -15.3 59.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.6 84.46 45.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.639 0.733 . . . . 0.0 110.846 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 163.8 36.9 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.704 2.27 . . . . 0.0 112.322 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.702 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.72 20.05 17.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.436 HD13 ' CG2' ' A' ' 707' ' ' VAL . 0.6 OUTLIER -114.04 136.29 53.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.66 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 10.1 mt-10 -62.03 -51.54 74.21 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.636 0.731 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.3 Cg_endo -69.72 -28.68 25.13 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.362 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . 0.436 ' CG2' HD13 ' A' ' 704' ' ' LEU . 24.4 t -67.75 -35.36 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -65.41 -46.53 79.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.1 m -75.46 -40.54 57.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . 0.697 ' OG ' HD23 ' A' ' 760' ' ' LEU . 24.4 t -59.3 -28.64 66.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.35 -27.69 59.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -72.93 -40.7 65.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.708 HD13 ' HB1' ' A' ' 756' ' ' ALA . 4.0 pp -75.91 -33.0 59.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.767 ' HG ' HG13 ' A' ' 691' ' ' VAL . 2.2 tp -67.21 -50.91 59.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -63.35 -44.71 94.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -66.71 -34.3 77.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 2.4 m -62.94 -47.51 82.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . 0.405 ' HB2' HG11 ' A' ' 691' ' ' VAL . . . -67.32 -30.76 70.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.105 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -76.65 -38.09 55.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -38.53 70.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -47.16 86.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.62 -34.89 79.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -43.17 93.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -69.15 -49.02 60.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.83 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . 0.51 ' O ' HG23 ' A' ' 728' ' ' THR . 62.5 m -65.91 -27.9 68.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 20.0 tpp85 -57.99 -36.97 73.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . 0.489 ' O ' HD21 ' A' ' 742' ' ' LEU . 0.3 OUTLIER -98.39 69.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.867 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.548 HG22 HD12 ' A' ' 742' ' ' LEU . 12.0 p -110.69 -178.03 3.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.895 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 1.4 t -118.11 66.79 6.16 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.635 0.731 . . . . 0.0 111.096 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.921 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.4 Cg_endo -69.77 -25.24 28.77 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.286 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.921 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.4 Cg_endo -69.7 -88.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.729 2.286 . . . . 0.0 112.335 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.422 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 1.2 pt-20 -137.22 155.2 75.99 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.611 0.719 . . . . 0.0 110.892 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.7 Cg_endo -69.79 -15.3 36.91 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.67 2.247 . . . . 0.0 112.31 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -79.91 -6.32 89.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.527 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.597 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -57.36 160.8 6.42 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.597 0.713 . . . . 0.0 111.131 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.597 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.7 Cg_endo -69.77 -8.77 24.46 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.651 2.234 . . . . 0.0 112.316 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.476 ' HB ' HG22 ' A' ' 729' ' ' VAL . 30.0 t -74.88 149.03 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.98 87.37 6.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -51.99 -24.95 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -71.17 -53.45 14.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -27.68 69.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.548 HD12 HG22 ' A' ' 728' ' ' THR . 0.6 OUTLIER -58.89 -50.97 72.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . 0.726 HG23 ' HB1' ' A' ' 672' ' ' ALA . 2.7 m -61.24 -36.79 80.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -69.6 -34.86 74.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.31 -45.29 66.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 21.6 m -66.63 -38.83 82.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . 0.469 HD11 HG22 ' A' ' 743' ' ' THR . 49.3 mt -64.16 -45.95 94.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -61.96 -46.22 90.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.95 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 77.5 m -65.2 -48.15 74.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -59.26 -43.06 92.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.064 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -67.98 -35.51 78.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -67.49 -48.45 67.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . 0.525 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -65.81 -34.82 72.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.41 -39.01 85.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 11.6 mtpp -68.58 -41.52 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . 0.708 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -61.76 -28.38 69.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -69.99 -37.84 75.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . 0.406 ' HA ' HG12 ' A' ' 761' ' ' VAL . 4.9 mtpt -58.86 -38.19 78.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -73.01 -28.3 62.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . 0.697 HD23 ' OG ' ' A' ' 710' ' ' SER . 0.5 OUTLIER -78.64 -39.57 36.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.668 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.1 p -71.31 -37.01 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.3 t -69.79 -32.83 71.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.38 -38.72 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.697 HG21 HG11 ' A' ' 654' ' ' VAL . 16.1 p -67.38 -43.66 80.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.9 m -66.24 -49.13 68.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -22.55 62.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.52 174.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.01 25.95 5.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.08 61.34 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.832 0.349 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.15 162.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -111.97 129.33 9.02 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.9 160.52 0.12 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.601 0.715 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.649 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.8 Cg_endo -69.69 152.28 69.63 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.355 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.8 OUTLIER -97.78 137.11 20.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 0.0 110.871 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -49.19 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -105.21 -145.09 13.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.904 HD13 HG21 ' A' ' 654' ' ' VAL . 1.1 mt -118.74 154.62 52.81 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-O 121.633 0.73 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -51.78 0.36 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.672 2.248 . . . . 0.0 112.354 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.672 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.3 m -124.18 120.41 32.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 5.0 m -66.23 -52.73 44.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.159 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -57.77 -48.4 79.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.1 m-20 -50.76 -36.13 35.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.904 HG21 HD13 ' A' ' 648' ' ' LEU . 98.8 t -69.52 -46.88 74.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.61 -52.81 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.17 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.6 pp -64.17 -30.34 71.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.737 ' O ' HG23 ' A' ' 661' ' ' VAL . 5.7 mmtp -70.86 -36.59 72.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -44.39 16.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -57.86 -36.37 72.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.73 -31.14 66.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 657' ' ' LYS . 69.5 t -63.25 -46.63 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.667 ' HA ' HD12 ' A' ' 665' ' ' ILE . 68.7 p -58.98 -37.27 76.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.3 -42.94 78.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -60.72 -35.11 75.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.667 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.2 mt -69.37 -37.89 76.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -59.18 -34.43 72.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -61.19 -37.91 84.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.884 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.03 -38.68 72.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.471 HD21 ' CE1' ' A' ' 751' ' ' TYR . 10.2 mp -68.52 -49.3 60.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -60.35 -37.31 80.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -71.08 -30.35 66.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.509 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.01 -49.07 49.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -63.32 -37.74 88.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -80.91 -2.98 49.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 61.38 74.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -132.12 72.37 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.0 -32.1 63.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.28 -22.24 61.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 23.7 m -89.85 -7.13 55.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.843 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . 0.73 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.2 m-85 -72.23 -38.26 68.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.568 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -53.44 -56.36 25.39 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.9 Cg_endo -69.75 -44.37 2.12 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.72 ' HB3' HD22 ' A' ' 668' ' ' LEU . 16.9 m -58.48 -37.36 75.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 3.3 t -75.35 -32.44 60.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -73.17 -46.9 48.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.4 ptpm? -57.5 -34.84 69.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 691' ' ' VAL . 59.4 mt -67.51 -37.5 78.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -64.95 -37.43 87.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.3 mt -57.57 -47.68 81.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.617 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.63 -36.5 82.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.052 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.673 HG13 ' HG ' ' A' ' 714' ' ' LEU . 88.9 t -69.32 -51.38 43.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.15 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 87.9 m -66.46 -43.0 86.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.03 -38.99 80.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . 0.525 ' HE1' HG13 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -65.22 -49.8 68.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.876 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -61.74 -36.06 79.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 2.4 t -55.35 -35.87 65.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.449 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -66.44 -21.03 66.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.583 ' CE2' HD22 ' A' ' 648' ' ' LEU . 46.9 m-85 -87.84 158.36 50.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.688 0.756 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 166.22 28.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.393 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.76 -30.12 13.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -148.02 119.34 4.44 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.67 0.748 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 166.37 27.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.649 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -122.24 26.47 8.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.405 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.7 OUTLIER -125.9 139.89 53.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.637 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 6.9 mt-10 -61.35 -52.76 68.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.703 0.763 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.76 -28.32 25.41 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.657 2.238 . . . . 0.0 112.366 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 32.0 t -68.33 -37.77 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -44.89 87.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.06 -41.62 58.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.828 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . 0.442 ' HA ' HD21 ' A' ' 713' ' ' LEU . 15.2 t -59.78 -38.69 82.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 5.9 tp -76.21 -28.57 57.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -72.75 -39.91 66.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.0 pp -75.97 -32.59 59.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.673 ' HG ' HG13 ' A' ' 691' ' ' VAL . 7.4 tp -63.2 -51.05 67.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -64.94 -40.99 95.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.94 76.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 1.7 p -69.33 -44.01 72.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -64.86 -38.4 90.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -36.65 76.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -71.96 -45.95 59.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -47.17 87.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -63.2 -41.26 99.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 26.0 m -66.21 -38.96 89.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.833 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.04 -49.35 58.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . 0.498 ' O ' HG23 ' A' ' 728' ' ' THR . 87.5 m -69.13 -28.06 66.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.87 -36.95 63.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp -102.16 48.61 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.498 HG23 ' O ' ' A' ' 725' ' ' CYS . 1.1 p -76.96 178.63 6.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.899 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 1.2 t -118.33 66.71 6.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.734 . . . . 0.0 111.157 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.942 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.7 Cg_endo -69.79 -25.16 28.74 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.942 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.5 Cg_endo -69.78 -88.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.336 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.8 OUTLIER -135.78 155.1 78.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.622 0.725 . . . . 0.0 110.921 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.6 Cg_endo -69.74 -15.47 37.18 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -78.3 -11.64 85.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.601 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -52.43 161.58 1.05 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.543 0.687 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.601 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.6 Cg_endo -69.73 -8.5 23.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.368 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.484 ' HB ' HG22 ' A' ' 729' ' ' VAL . 96.6 t -85.01 120.53 35.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.37 97.59 0.2 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -64.08 -28.0 69.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -68.83 -51.71 37.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.88 -27.66 68.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.75 -50.86 72.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . 0.509 HG23 ' HB1' ' A' ' 672' ' ' ALA . 2.0 m -57.94 -37.76 74.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -69.59 -34.78 74.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -70.52 -45.1 66.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . 0.73 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.3 m -66.81 -38.65 81.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . 0.477 HD11 HG22 ' A' ' 743' ' ' THR . 52.9 mt -65.83 -48.67 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -62.17 -46.09 90.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 7.6 t -66.37 -46.64 76.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . 0.481 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -63.16 -41.93 99.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . 0.471 ' CE1' HD21 ' A' ' 669' ' ' LEU . 4.5 m-85 -67.22 -35.86 80.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.893 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -69.32 -48.32 61.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . 0.534 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.26 -34.71 71.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.443 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.45 -44.19 79.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -66.35 -36.05 81.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.87 -27.01 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.132 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -66.35 -30.8 71.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . 0.411 ' HA ' HG12 ' A' ' 761' ' ' VAL . 17.1 mtpt -67.0 -39.71 87.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.07 -31.38 62.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 28.7 tp -78.86 -37.64 39.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 758' ' ' LYS . 7.2 p -73.19 -32.23 37.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.2 t -77.18 -35.27 56.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.42 -41.91 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.607 HG22 HD11 ' A' ' 648' ' ' LEU . 69.9 p -68.47 -41.91 79.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 97.5 m -66.13 -49.1 68.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.162 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.18 -23.72 61.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.87 160.61 0.67 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.35 -32.22 13.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 6.2 tttp 57.84 77.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.851 0.358 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 59.99 175.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -107.01 160.81 14.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 63.18 160.06 0.12 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.668 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.0 Cg_endo -69.73 152.47 69.46 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.377 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 4.1 t70 -93.66 134.8 25.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.651 0.738 . . . . 0.0 110.828 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . 0.687 ' O ' HD13 ' A' ' 704' ' ' LEU . 53.9 Cg_endo -69.77 -49.37 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.337 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -108.79 -154.09 16.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.482 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.601 HD12 ' CE2' ' A' ' 698' ' ' PHE . 0.3 OUTLIER -100.1 152.52 37.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.623 0.725 . . . . 0.0 110.881 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -51.58 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.699 ' O ' HG23 ' A' ' 654' ' ' VAL . 0.6 OUTLIER -124.16 120.41 32.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.82 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.69 -53.47 40.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.49 -48.06 82.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.525 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.0 OUTLIER -51.7 -37.19 49.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.736 HG11 HG21 ' A' ' 764' ' ' THR . 84.2 t -68.83 -47.18 77.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -57.21 -52.46 56.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -65.16 -30.45 71.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.741 ' O ' HG23 ' A' ' 661' ' ' VAL . 5.1 mmtp -71.04 -36.9 72.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.657 HG21 ' HB ' ' A' ' 761' ' ' VAL . 1.0 OUTLIER -82.12 -44.37 16.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -57.97 -36.45 72.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.81 -30.83 65.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.799 HG22 ' HB1' ' A' ' 690' ' ' ALA . 69.2 t -64.27 -46.05 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.711 ' HA ' HD12 ' A' ' 665' ' ' ILE . 81.9 p -59.69 -35.87 75.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.2 -45.31 73.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -60.64 -31.99 71.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.2 mt -72.21 -39.63 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.24 -34.66 68.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -61.63 -36.68 81.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.07 -38.76 72.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.81 -49.25 63.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -60.69 -37.41 81.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.89 -33.71 75.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -70.49 -46.28 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -67.2 -25.48 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -92.32 12.06 23.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 52.38 61.33 3.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -127.25 70.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -58.73 -31.41 68.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -69.87 -28.61 65.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.08 -6.16 49.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . 0.43 ' CD2' HG11 ' A' ' 746' ' ' VAL . 14.4 m-30 -71.62 -35.22 70.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.551 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.89 -56.77 26.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.727 . . . . 0.0 111.154 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.79 -44.22 2.18 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.262 . . . . 0.0 112.333 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.715 ' HB3' HD22 ' A' ' 668' ' ' LEU . 27.6 m -60.46 -34.49 74.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 9.6 t -75.35 -32.36 60.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -70.24 -47.71 60.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.11 -36.73 73.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.497 HD12 HD23 ' A' ' 668' ' ' LEU . 56.4 mt -67.18 -37.57 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -63.84 -36.79 85.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -57.31 -50.26 73.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.799 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -59.69 -36.58 76.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.078 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.764 HG13 ' HG ' ' A' ' 714' ' ' LEU . 91.5 t -65.33 -51.78 60.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 43.1 m -67.31 -42.13 84.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.47 -44.39 97.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.16 -50.01 67.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.61 -36.53 83.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 31.3 t -56.19 -36.6 68.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -63.53 -22.84 67.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.601 ' CE2' HD12 ' A' ' 648' ' ' LEU . 47.1 m-85 -85.89 149.24 50.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.644 0.735 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 153.5 68.73 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.739 2.292 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -17.42 55.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.19 88.73 25.23 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.699 . . . . 0.0 110.886 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 162.55 41.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.665 2.244 . . . . 0.0 112.349 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.668 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -119.51 14.71 12.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.077 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.687 HD13 ' O ' ' A' ' 646' ' ' PRO . 1.2 tp -112.98 139.06 48.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.651 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 4.7 mt-10 -61.62 -51.62 75.35 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.686 0.755 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.1 Cg_endo -69.71 -29.52 23.97 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.634 2.223 . . . . 0.0 112.359 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . 0.573 HG23 HD23 ' A' ' 704' ' ' LEU . 21.8 t -66.44 -38.77 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -66.02 -46.11 79.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 38.7 m -73.65 -35.73 65.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 48.5 t -58.94 -35.12 72.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -29.79 68.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -72.64 -48.29 40.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.3 pp -71.73 -40.45 69.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.764 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.2 tp -62.27 -51.14 68.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -63.97 -41.39 97.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.09 -33.8 76.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 5.8 m -61.84 -48.2 81.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . 0.639 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -65.81 -31.13 71.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -77.11 -34.52 56.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -71.4 -43.15 67.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.99 -41.59 92.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -56.85 -36.78 70.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -37.59 85.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -68.18 -49.39 61.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 728' ' ' THR . 8.7 p -66.46 -26.86 67.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -66.15 -37.69 86.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . 0.611 ' O ' HD11 ' A' ' 742' ' ' LEU . 3.9 mtmt -108.81 75.26 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 725' ' ' CYS . 52.2 p -102.95 -176.79 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.895 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 13.7 p -144.62 54.23 2.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 0.0 111.179 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.941 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.1 Cg_endo -69.69 -25.19 29.16 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.941 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.5 Cg_endo -69.8 -91.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.317 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.439 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.7 OUTLIER -126.6 156.29 73.47 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.596 0.713 . . . . 0.0 110.917 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.5 Cg_endo -69.74 -14.48 36.2 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.66 2.24 . . . . 0.0 112.347 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -70.17 -9.24 63.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.648 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -54.58 162.65 1.63 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.591 0.71 . . . . 0.0 111.074 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.648 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.5 Cg_endo -69.8 -16.92 37.59 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.704 2.269 . . . . 0.0 112.35 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.502 HG23 ' HB ' ' A' ' 729' ' ' VAL . 29.9 m -104.66 133.14 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.86 118.81 22.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . 0.435 ' HB3' HG11 ' A' ' 729' ' ' VAL . 22.1 p90 -51.47 -32.05 25.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -63.61 -43.67 96.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.684 HD12 HE21 ' A' ' 745' ' ' GLN . 0.3 OUTLIER -68.69 -28.94 67.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.611 HD11 ' O ' ' A' ' 727' ' ' LYS . 2.2 mm? -67.92 -50.3 56.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -37.21 73.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -69.55 -35.23 75.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . 0.684 HE21 HD12 ' A' ' 741' ' ' LEU . 35.3 mt-30 -70.02 -45.3 67.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . 0.43 HG11 ' CD2' ' A' ' 680' ' ' PHE . 21.2 m -66.57 -38.81 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.63 -50.02 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.85 -46.45 89.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 95.7 m -64.83 -43.6 92.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.88 93.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -67.67 -35.66 79.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.11 -48.41 57.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.861 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -34.47 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.527 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.5 -43.98 79.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -70.63 -36.84 73.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -61.06 -27.16 68.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -72.88 -37.54 67.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.066 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -58.81 -38.06 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -28.47 62.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 764' ' ' THR . 0.4 OUTLIER -78.57 -39.46 37.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.657 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.3 p -71.4 -36.91 62.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.4 t -70.04 -32.94 71.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.42 -39.3 83.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.736 HG21 HG11 ' A' ' 654' ' ' VAL . 19.2 p -69.08 -42.45 76.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 97.1 m -66.16 -49.09 68.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -24.99 62.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 165.16 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -69.87 -27.66 65.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -92.75 124.19 36.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 179.931 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . 0.409 HD13 ' HB3' ' A' ' 699' ' ' PRO . 4.1 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.791 0.329 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -115.39 -170.75 1.83 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 96.43 -120.82 6.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.2 160.11 40.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.614 0.721 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.689 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.6 Cg_endo -69.8 152.19 69.03 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.684 2.256 . . . . 0.0 112.37 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.552 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 6.1 t70 -92.38 132.51 31.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.558 0.694 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . 0.596 ' O ' HD13 ' A' ' 704' ' ' LEU . 53.7 Cg_endo -69.75 -49.32 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.676 2.251 . . . . 0.0 112.358 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -115.28 -151.96 10.07 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.483 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.819 HD13 HG21 ' A' ' 654' ' ' VAL . 0.3 OUTLIER -106.16 152.8 40.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.651 0.739 . . . . 0.0 110.898 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -51.51 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.702 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.0 m -124.04 120.75 33.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.11 -53.16 49.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -58.63 -48.1 82.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.488 ' HA ' HD21 ' A' ' 656' ' ' LEU . 22.4 m-20 -51.47 -35.95 42.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.819 HG21 HD13 ' A' ' 648' ' ' LEU . 95.9 t -70.23 -47.09 69.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.01 -53.38 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.488 HD21 ' HA ' ' A' ' 653' ' ' ASP . 4.5 pp -63.97 -29.09 70.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.736 ' O ' HG23 ' A' ' 661' ' ' VAL . 3.2 mmtt -70.77 -36.98 73.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.584 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.48 -44.56 15.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -57.64 -36.2 71.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 3.0 pt20 -71.61 -30.6 65.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.874 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 657' ' ' LYS . 76.6 t -63.17 -46.7 95.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.691 ' HA ' HD12 ' A' ' 665' ' ' ILE . 79.3 p -59.55 -37.21 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.29 -43.98 76.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -60.82 -31.99 71.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 662' ' ' THR . 17.3 mt -72.06 -37.99 62.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.152 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -34.53 72.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -61.22 -35.85 78.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.716 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.21 -38.11 72.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 669' ' ' LEU . 4.3 mm? -68.3 -49.23 61.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -60.6 -37.42 81.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -66.82 -32.45 73.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.75 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.22 -49.14 46.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -62.97 -25.72 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -91.01 9.04 32.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 56.58 61.37 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -129.51 63.61 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -54.78 -31.59 58.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -69.41 -27.92 65.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.82 -6.12 49.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . 0.762 ' CD2' HG11 ' A' ' 746' ' ' VAL . 14.3 m-30 -71.07 -34.79 71.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.551 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -56.4 -57.12 25.07 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.623 0.725 . . . . 0.0 111.127 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.1 Cg_endo -69.78 -44.31 2.14 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.624 2.216 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.716 ' HB3' HD22 ' A' ' 668' ' ' LEU . 28.3 m -59.98 -33.3 71.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . 0.405 ' HA ' HD12 ' A' ' 687' ' ' ILE . 58.5 m -75.71 -35.06 60.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -65.55 -48.31 72.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -35.77 71.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.455 ' O ' HG23 ' A' ' 691' ' ' VAL . 53.3 mt -68.62 -37.05 77.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . 0.447 ' CD2' ' HB1' ' A' ' 718' ' ' ALA . 20.2 m170 -64.36 -36.2 83.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.0 mt -57.0 -49.97 74.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.709 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.46 -36.07 81.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.712 HG13 ' HG ' ' A' ' 714' ' ' LEU . 99.2 t -68.92 -51.61 42.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 58.8 m -66.99 -42.03 85.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.71 -37.84 83.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 2.6 ttp -65.2 -50.2 66.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -67.48 -36.98 82.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 44.0 t -55.94 -37.42 68.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.492 HD11 ' CE1' ' A' ' 698' ' ' PHE . 0.5 OUTLIER -62.61 -20.78 65.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.571 ' CZ ' HD22 ' A' ' 648' ' ' LEU . 65.5 m-85 -102.77 154.49 37.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.655 0.74 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . 0.409 ' HB3' HD13 ' A' ' 640' ' ' LEU . 53.5 Cg_endo -69.78 157.23 61.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.327 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.97 -14.14 51.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -126.75 88.92 53.36 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 160.25 50.4 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.682 2.255 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.689 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -113.41 1.28 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 646' ' ' PRO . 1.1 tp -99.67 137.99 37.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.662 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.5 mt-10 -61.82 -51.07 78.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.674 0.749 . . . . 0.0 110.947 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.81 -29.59 23.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . 0.575 HG23 HD23 ' A' ' 704' ' ' LEU . 19.9 t -66.26 -36.24 76.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -65.82 -46.17 79.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 63.3 m -74.49 -40.37 61.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 79.7 p -59.31 -33.37 71.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.07 -29.17 68.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 6.3 mtp85 -72.64 -48.38 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.0 pp -72.67 -42.22 64.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.712 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.1 tp -55.88 -51.44 67.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -65.38 -38.11 89.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.74 -33.3 75.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.31 -40.03 92.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.818 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 688' ' ' HIS . . . -73.02 -42.07 63.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.97 -46.13 82.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -59.9 -46.16 90.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.88 -37.46 79.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -44.1 76.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 33.9 t -66.25 -37.96 86.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.838 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -67.51 -49.29 64.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . 0.536 ' O ' HG23 ' A' ' 728' ' ' THR . 10.9 p -69.13 -26.82 65.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.85 -48.75 73.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . 0.607 ' O ' HD21 ' A' ' 742' ' ' LEU . 0.0 OUTLIER -97.3 76.05 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 725' ' ' CYS . 53.1 p -107.14 -175.59 2.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.86 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.7 t -119.28 65.0 7.78 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.926 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.2 Cg_endo -69.71 -26.07 28.17 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.647 2.232 . . . . 0.0 112.374 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.926 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.7 Cg_endo -69.68 -165.17 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.454 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.6 OUTLIER -49.95 156.34 1.32 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.581 0.705 . . . . 0.0 110.91 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.9 Cg_endo -69.77 -14.8 36.57 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.641 2.227 . . . . 0.0 112.351 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -93.2 8.0 75.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.625 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.09 161.59 0.7 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.569 0.7 . . . . 0.0 111.088 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.625 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.2 Cg_endo -69.72 -38.63 7.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.573 ' HB ' HG22 ' A' ' 729' ' ' VAL . 52.9 t -50.94 146.92 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.43 93.02 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -51.93 -38.18 55.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -54.83 -41.53 70.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.21 -34.31 63.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.607 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.3 OUTLIER -58.95 -51.17 71.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . 0.75 HG23 ' HB1' ' A' ' 672' ' ' ALA . 0.7 OUTLIER -62.64 -36.48 82.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -69.42 -34.99 75.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -70.21 -45.49 66.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . 0.762 HG11 ' CD2' ' A' ' 680' ' ' PHE . 21.9 m -66.49 -38.84 82.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.0 mt -65.0 -49.75 78.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -58.6 -46.42 87.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 83.9 m -63.7 -47.98 78.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . 0.617 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -61.79 -41.87 98.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -67.32 -35.67 79.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -68.83 -48.23 64.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . 0.465 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -65.74 -34.61 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.41 -44.18 79.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.1 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.03 -41.73 94.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . 0.457 ' HB1' ' CD1' ' A' ' 713' ' ' LEU . . . -60.98 -27.07 68.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -69.06 -38.2 78.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . 0.402 ' HA ' HG12 ' A' ' 761' ' ' VAL . 2.9 mtpp -58.96 -37.99 78.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -72.9 -28.37 62.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 764' ' ' THR . 0.2 OUTLIER -78.53 -39.62 37.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.584 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.1 p -71.28 -37.01 64.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.2 t -69.82 -32.65 71.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.1 mm -66.39 -38.84 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.777 HG21 HG11 ' A' ' 654' ' ' VAL . 18.4 p -67.89 -43.37 79.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.101 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.2 m -66.21 -49.04 68.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -23.39 62.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.01 164.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -110.24 -31.8 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp 61.08 96.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -170.67 -177.53 2.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.823 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -106.97 164.9 13.19 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.442 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 64.02 156.22 0.12 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 0.0 110.856 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.717 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.1 Cg_endo -69.74 152.01 69.32 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.372 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.563 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 6.2 t0 -88.61 127.83 54.98 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.575 0.702 . . . . 0.0 110.874 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.2 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.661 2.241 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -131.35 51.88 0.84 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.545 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.718 HD11 HG22 ' A' ' 764' ' ' THR . 0.5 OUTLIER 64.33 152.53 0.12 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.728 . . . . 0.0 110.894 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 -51.79 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.712 ' O ' HG23 ' A' ' 654' ' ' VAL . 5.3 m -124.07 120.96 33.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.29 -53.13 48.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -58.29 -48.2 81.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.528 ' HA ' HD21 ' A' ' 656' ' ' LEU . 3.8 t0 -51.58 -36.42 45.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 1.041 HG11 HG21 ' A' ' 764' ' ' THR . 95.7 t -69.32 -46.78 76.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.47 -52.75 48.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.528 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.7 pp -64.17 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.748 ' O ' HG23 ' A' ' 661' ' ' VAL . 3.0 mmtp -71.0 -36.04 72.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.506 HG21 ' HB ' ' A' ' 761' ' ' VAL . 1.0 OUTLIER -81.75 -44.27 17.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -57.74 -36.72 72.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -71.76 -30.82 66.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 657' ' ' LYS . 66.3 t -63.89 -46.24 94.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.706 ' HA ' HD12 ' A' ' 665' ' ' ILE . 82.0 p -59.42 -36.5 76.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.134 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.42 -44.11 75.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -60.87 -31.69 71.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.706 HD12 ' HA ' ' A' ' 662' ' ' THR . 18.1 mt -71.87 -37.75 62.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.09 -33.2 67.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.0 -37.6 80.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.64 -38.55 73.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 669' ' ' LEU . 4.1 mm? -67.43 -48.98 65.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -61.61 -37.43 83.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.05 -33.47 75.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.98 -49.08 49.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -62.55 -32.85 73.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -88.06 -2.91 58.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 62.02 76.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 15.2 mmmt -134.42 69.31 1.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -56.04 -30.72 62.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.49 -22.71 61.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . 0.414 ' C ' ' HD2' ' A' ' 682' ' ' PRO . 3.4 t -92.3 -4.77 53.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . 0.741 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -71.57 -30.93 66.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.576 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.4 t -62.57 -55.54 38.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.617 0.722 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.77 -41.4 4.3 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.357 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.738 ' HB3' HD22 ' A' ' 668' ' ' LEU . 12.9 m -58.5 -41.32 85.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . 0.477 ' HA ' HD12 ' A' ' 687' ' ' ILE . 1.5 t -74.86 -32.38 61.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -69.91 -47.66 61.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -58.21 -33.42 69.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 684' ' ' SER . 53.8 mt -68.46 -37.66 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 20.3 t-160 -65.43 -36.95 85.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.802 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.84 -46.1 81.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.544 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.35 -36.59 84.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.623 HG13 ' HG ' ' A' ' 714' ' ' LEU . 90.6 t -68.62 -51.34 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 37.3 m -67.05 -43.89 81.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -59.14 -39.89 83.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -50.85 64.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -57.59 -36.59 71.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.02 -31.08 62.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -27.57 65.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.654 ' CE2' HD23 ' A' ' 648' ' ' LEU . 46.2 m-85 -74.06 154.78 88.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.688 0.756 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 178.13 4.83 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.74 2.294 . . . . 0.0 112.341 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -13.26 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 13.4 ttp85 -161.23 117.05 1.34 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.617 0.722 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 157.5 60.29 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.717 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -110.82 0.09 17.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.72 138.6 36.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.653 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.3 mt-10 -62.43 -51.68 71.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.661 0.743 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.1 Cg_endo -69.77 -28.51 25.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 21.9 t -67.7 -34.55 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -65.47 -46.91 77.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 21.3 m -75.93 -38.62 57.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . 0.72 ' OG ' HD23 ' A' ' 760' ' ' LEU . 33.1 t -59.11 -30.09 67.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.875 -179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.02 -30.26 63.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -72.34 -48.29 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.527 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.3 pp -70.79 -40.21 72.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.623 ' HG ' HG13 ' A' ' 691' ' ' VAL . 4.6 tp -56.06 -51.06 69.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.28 -41.25 94.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.28 -33.78 76.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.74 -48.07 82.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . 0.586 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -67.64 -29.95 69.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -72.11 -46.01 58.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.23 -45.54 94.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.834 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -39.29 85.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.33 -47.1 80.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -39.0 89.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -69.15 -49.12 59.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 728' ' ' THR . 7.4 m -69.07 -27.93 66.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -59.09 -36.79 75.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 19.6 mtpt -99.73 70.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 725' ' ' CYS . 3.8 p -101.08 -179.48 4.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.887 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 0.0 OUTLIER -118.99 65.76 7.31 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.645 0.736 . . . . 0.0 111.149 179.912 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.944 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.2 Cg_endo -69.76 -25.39 28.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.944 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.4 Cg_endo -69.78 -52.61 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.652 2.235 . . . . 0.0 112.309 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -176.67 154.08 1.21 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.675 0.75 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -22.34 32.31 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.696 2.264 . . . . 0.0 112.371 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -70.56 -17.42 74.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.653 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -50.21 162.42 0.51 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.566 0.698 . . . . 0.0 111.101 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.653 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.3 Cg_endo -69.77 -8.18 22.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.55 150.13 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.07 81.55 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -55.18 -39.71 69.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -71.07 -49.64 42.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 2.9 tp -61.85 -27.63 68.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.65 -39.8 81.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . 0.409 HG23 ' HB1' ' A' ' 672' ' ' ALA . 0.7 OUTLIER -72.91 -35.93 67.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -70.01 -34.53 73.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -70.88 -45.28 64.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . 0.741 HG11 ' CE2' ' A' ' 680' ' ' PHE . 23.6 m -65.9 -39.04 83.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 56.0 mt -66.15 -50.5 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -62.88 -44.23 96.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 59.5 m -66.38 -48.44 70.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . 0.405 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -58.87 -47.0 86.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -68.15 -35.07 77.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -63.77 -49.55 72.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -34.89 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.59 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.52 -44.15 79.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -65.72 -39.94 91.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.92 67.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.23 -33.03 71.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -58.7 -38.52 78.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -72.92 -28.42 62.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . 0.72 HD23 ' OG ' ' A' ' 710' ' ' SER . 0.5 OUTLIER -78.65 -39.77 36.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.506 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.4 p -71.07 -36.68 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.7 t -70.48 -33.54 71.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.6 mm -66.79 -38.75 82.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 1.041 HG21 HG11 ' A' ' 654' ' ' VAL . 20.7 p -68.96 -41.11 78.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 91.4 m -65.85 -49.14 69.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -63.35 -34.18 77.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -52.15 166.46 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 43.08 2.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -124.01 74.49 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.934 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.784 0.326 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -108.57 -60.11 1.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 157.83 -124.96 1.47 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.53 160.49 18.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.644 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.8 Cg_endo -69.71 152.39 69.54 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.371 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.415 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.9 OUTLIER -98.3 137.59 20.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.578 0.704 . . . . 0.0 110.867 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.87 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -110.59 -144.49 10.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.675 HD22 HG21 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -112.3 152.51 44.54 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.59 0.71 . . . . 0.0 110.935 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.58 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.709 2.272 . . . . 0.0 112.351 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.653 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.6 m -123.66 120.5 32.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.4 m -65.61 -53.24 44.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.164 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -57.88 -47.92 81.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.537 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.5 t70 -51.5 -37.2 48.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.728 HG11 HG21 ' A' ' 764' ' ' THR . 92.4 t -69.12 -47.11 76.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.79 -52.53 53.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.537 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.6 pp -64.79 -30.37 71.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.734 ' O ' HG23 ' A' ' 661' ' ' VAL . 6.3 mmtm -71.06 -36.73 72.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.552 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.6 OUTLIER -82.16 -44.37 16.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.75 -36.45 72.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -71.79 -30.97 66.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.935 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 657' ' ' LYS . 69.2 t -63.94 -44.71 98.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.174 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.684 ' HA ' HD12 ' A' ' 665' ' ' ILE . 66.4 p -61.28 -36.99 81.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.148 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.38 -43.72 76.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -60.64 -34.28 74.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.684 HD12 ' HA ' ' A' ' 662' ' ' THR . 16.3 mt -69.41 -40.4 79.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -56.62 -34.67 67.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -61.32 -36.21 79.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.704 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.24 -38.02 71.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.465 HD21 ' HB3' ' A' ' 750' ' ' ALA . 22.2 mt -69.44 -49.26 56.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -60.38 -37.27 80.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.49 -31.26 72.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.781 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -71.57 -49.34 41.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -63.78 -20.21 65.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -94.47 7.23 46.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 58.47 55.47 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -123.71 81.11 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -64.69 -38.06 89.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -69.24 -25.28 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 20.1 m -70.98 -13.5 62.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . 0.546 ' CD2' HG11 ' A' ' 746' ' ' VAL . 18.8 m-30 -71.55 -35.67 70.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.545 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -54.73 -57.41 19.27 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.612 0.72 . . . . 0.0 111.128 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.0 Cg_endo -69.75 -44.45 2.08 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.704 ' HB3' HD22 ' A' ' 668' ' ' LEU . 24.5 m -60.05 -33.35 71.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . 0.403 ' OG ' HD22 ' A' ' 721' ' ' LEU . 7.9 m -74.79 -32.72 62.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.91 -46.99 64.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -58.2 -34.82 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 691' ' ' VAL . 51.0 mt -69.18 -37.84 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . 0.412 ' ND1' ' HB1' ' A' ' 718' ' ' ALA . 7.2 m-70 -63.35 -36.1 82.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.2 mt -56.45 -49.1 75.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.675 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.18 -36.72 84.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.742 HG13 ' HG ' ' A' ' 714' ' ' LEU . 99.7 t -67.68 -51.65 48.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 68.0 m -67.3 -44.34 79.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -59.65 -38.33 81.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -50.0 67.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -58.95 -36.7 75.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 37.4 t -55.8 -37.52 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.78 -20.84 65.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.631 ' CE1' HD23 ' A' ' 648' ' ' LEU . 89.2 m-85 -89.5 155.83 48.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.711 0.767 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.71 26.68 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -29.88 14.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -147.59 121.82 5.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.606 0.717 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 165.2 31.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.639 2.226 . . . . 0.0 112.351 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.644 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -120.32 25.05 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.432 HD13 HG23 ' A' ' 707' ' ' VAL . 0.6 OUTLIER -127.58 141.81 51.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.622 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.1 mp0 -61.86 -53.17 62.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.656 0.741 . . . . 0.0 110.908 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.4 Cg_endo -69.81 -34.48 14.33 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.223 . . . . 0.0 112.328 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . 0.432 HG23 HD13 ' A' ' 704' ' ' LEU . 24.7 t -59.23 -36.81 65.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.6 mtm180 -65.09 -46.2 82.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -42.09 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . 0.444 ' HA ' HD21 ' A' ' 713' ' ' LEU . 1.2 t -59.64 -38.38 81.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.825 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 5.0 tp -76.02 -29.09 58.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -72.71 -40.03 66.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.675 HD13 ' HB1' ' A' ' 756' ' ' ALA . 4.1 pp -76.01 -32.84 59.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.742 ' HG ' HG13 ' A' ' 691' ' ' VAL . 10.5 tp -59.34 -51.21 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -65.23 -38.96 92.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.2 -33.75 76.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.84 -37.56 84.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . 0.412 ' HB1' ' ND1' ' A' ' 688' ' ' HIS . . . -72.68 -37.82 67.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.094 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -64.96 -46.0 83.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -63.67 -46.16 86.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . 0.403 HD22 ' OG ' ' A' ' 684' ' ' SER . 0.3 OUTLIER -59.85 -38.42 82.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -39.98 73.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 28.6 t -66.14 -37.84 86.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -66.94 -49.43 65.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . 0.561 ' O ' HG23 ' A' ' 728' ' ' THR . 11.5 p -69.18 -26.79 65.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -48.81 74.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . 0.529 ' O ' HD21 ' A' ' 742' ' ' LEU . 0.0 OUTLIER -98.69 76.19 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 725' ' ' CYS . 52.2 p -105.38 -176.0 2.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.868 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.8 t -119.54 65.01 8.57 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 111.113 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.924 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.0 Cg_endo -69.85 -25.96 27.66 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.698 2.265 . . . . 0.0 112.361 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.924 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.5 Cg_endo -69.8 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.34 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.455 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.6 OUTLIER -49.68 156.42 1.2 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.652 0.739 . . . . 0.0 110.896 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.455 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 54.1 Cg_endo -69.72 -14.62 36.46 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.326 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -94.31 8.89 72.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.612 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.06 161.52 0.7 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.608 0.718 . . . . 0.0 111.065 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.612 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.7 Cg_endo -69.79 -37.66 8.8 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.349 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.59 ' HB ' HG22 ' A' ' 729' ' ' VAL . 56.4 t -51.09 146.46 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.48 88.64 7.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -51.83 -30.07 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -65.25 -43.08 92.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.01 -35.53 64.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.529 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.4 OUTLIER -59.03 -50.86 72.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . 0.781 HG23 ' HB1' ' A' ' 672' ' ' ALA . 4.6 m -59.68 -34.23 72.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -69.36 -35.32 75.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -69.57 -45.15 69.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . 0.546 HG11 ' CD2' ' A' ' 680' ' ' PHE . 22.0 m -67.47 -38.74 81.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . 0.587 HD11 HG22 ' A' ' 743' ' ' THR . 58.5 mt -67.19 -50.07 66.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -60.23 -46.18 90.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 2.9 t -62.18 -48.18 81.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . 0.637 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -61.6 -41.79 97.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -67.63 -35.68 79.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -68.74 -48.08 64.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.63 -34.48 70.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.492 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.24 -43.86 80.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -73.47 -34.26 65.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . 0.675 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -63.01 -26.97 69.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -73.82 -26.13 60.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . 0.405 ' HA ' HG12 ' A' ' 761' ' ' VAL . 0.3 OUTLIER -58.86 -37.95 77.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.88 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -72.93 -28.25 62.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' ' 760' ' ' LEU . 2.1 tt -78.69 -39.53 36.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.552 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.1 p -71.41 -36.84 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.2 t -69.86 -32.35 70.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.1 mm -66.17 -38.98 83.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.728 HG21 HG11 ' A' ' 654' ' ' VAL . 28.9 p -68.58 -42.77 77.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 96.9 m -66.23 -48.89 69.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -24.32 62.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -52.29 168.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.57 51.07 1.39 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -170.48 99.76 0.25 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.828 0.347 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -140.49 -71.93 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -177.51 -150.58 8.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.02 160.62 1.13 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.731 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.706 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.6 Cg_endo -69.78 152.14 69.15 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.236 . . . . 0.0 112.31 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.498 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 3.8 t70 -96.59 136.34 21.85 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.581 0.705 . . . . 0.0 110.895 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -49.2 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.677 2.251 . . . . 0.0 112.372 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . 0.445 ' C ' HD13 ' A' ' 648' ' ' LEU . . . -111.76 -146.15 10.19 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.592 HD12 ' CE2' ' A' ' 698' ' ' PHE . 0.3 OUTLIER -104.94 152.38 39.59 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.707 2.271 . . . . 0.0 112.293 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.704 ' O ' HG23 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -124.04 120.56 32.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.82 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.8 m -65.71 -53.26 43.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -58.7 -48.25 81.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.52 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.0 OUTLIER -51.52 -36.45 44.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.775 HG11 HG21 ' A' ' 764' ' ' THR . 81.4 t -69.03 -47.0 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.61 -52.88 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.52 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.46 -30.75 71.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.745 ' O ' HG23 ' A' ' 661' ' ' VAL . 1.9 mmtp -70.39 -37.01 74.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.528 HG21 ' HB ' ' A' ' 761' ' ' VAL . 1.0 OUTLIER -81.83 -44.07 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.118 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.78 -36.93 72.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -71.73 -30.69 65.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.783 HG22 ' HB1' ' A' ' 690' ' ' ALA . 66.2 t -63.88 -46.93 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.711 ' HA ' HD12 ' A' ' 665' ' ' ILE . 81.4 p -58.87 -36.06 74.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.23 -44.53 75.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -60.59 -36.74 79.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 662' ' ' THR . 12.0 mt -66.46 -40.2 85.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -55.96 -34.19 65.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.49 -39.26 90.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.723 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.75 -39.13 73.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.538 HD21 ' CB ' ' A' ' 750' ' ' ALA . 23.8 mt -69.9 -49.15 54.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -61.19 -37.09 81.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -70.25 -29.06 65.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.574 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.99 -49.08 49.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -67.91 -27.75 66.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -89.23 8.98 27.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 51.61 69.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -128.34 76.07 1.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -61.09 -35.63 77.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -71.27 -22.29 61.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 68.2 m -85.5 -9.85 56.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . 0.729 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.4 m-30 -71.71 -30.88 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.568 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -61.83 -56.17 34.74 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-O 121.644 0.735 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.9 Cg_endo -69.74 -41.47 4.28 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.723 ' HB3' HD22 ' A' ' 668' ' ' LEU . 12.8 m -58.43 -35.28 71.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.78 -32.63 59.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.32 -47.64 60.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -57.91 -37.21 73.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.463 HD11 ' HB2' ' A' ' 668' ' ' LEU . 58.8 mt -67.17 -37.47 79.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -63.67 -36.68 84.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.03 -48.13 79.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.783 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.98 -36.61 84.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.747 HG13 ' HG ' ' A' ' 714' ' ' LEU . 89.1 t -67.35 -51.87 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 87.8 m -67.37 -43.85 80.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.41 -44.27 95.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -49.93 68.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -61.4 -36.39 80.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 1.6 t -55.88 -36.77 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -64.12 -22.86 67.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.592 ' CE2' HD12 ' A' ' 648' ' ' LEU . 47.1 m-85 -85.56 149.17 50.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 154.52 67.75 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.658 2.238 . . . . 0.0 112.318 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -17.11 55.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.52 88.47 12.55 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.563 0.696 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 156.46 63.33 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.682 2.255 . . . . 0.0 112.394 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.706 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.6 21.63 15.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.074 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.03 136.43 53.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.661 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 8.1 mt-10 -61.99 -51.41 75.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.682 0.754 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.7 Cg_endo -69.81 -27.88 25.69 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.635 2.224 . . . . 0.0 112.342 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 18.4 t -67.97 -38.22 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -66.05 -44.08 85.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.1 -40.58 59.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . 0.409 ' HA ' HD21 ' A' ' 713' ' ' LEU . 97.6 p -59.22 -31.54 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.84 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.84 -27.8 58.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -73.07 -40.39 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.665 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.0 pp -75.83 -32.64 59.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.747 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.2 tp -66.4 -51.33 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -62.96 -44.13 96.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.2 -33.81 76.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.85 -48.0 82.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.829 -179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . 0.431 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -66.94 -29.86 69.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -73.12 -36.84 66.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.939 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -72.04 -45.43 60.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.15 -39.19 85.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.01 -47.15 78.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 3.1 m -66.59 -37.79 85.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -69.01 -49.53 56.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . 0.671 ' O ' HG23 ' A' ' 728' ' ' THR . 20.0 m -69.1 -32.26 71.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -53.86 -36.86 63.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . 0.53 ' O ' HD21 ' A' ' 742' ' ' LEU . 1.6 mtmt -100.39 69.9 1.47 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 725' ' ' CYS . 2.7 p -94.89 -177.85 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.857 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.3 t -119.4 64.92 8.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 111.097 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.929 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.9 Cg_endo -69.81 -26.05 27.73 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.35 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.929 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.6 Cg_endo -69.74 -164.91 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.452 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 20.8 pt-20 -49.34 155.89 1.17 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.634 0.731 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.8 Cg_endo -69.79 -17.87 37.19 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.717 2.278 . . . . 0.0 112.306 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -90.56 8.98 78.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.618 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.62 161.62 0.83 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.563 0.697 . . . . 0.0 111.075 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.618 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.6 Cg_endo -69.75 -37.33 9.34 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.36 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.517 ' HB ' HG22 ' A' ' 729' ' ' VAL . 44.4 t -50.95 148.0 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.71 84.39 5.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -52.01 -24.83 7.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -68.42 -43.83 76.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.89 -27.97 61.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.53 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.1 OUTLIER -59.08 -50.97 72.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . 0.574 HG23 ' HB1' ' A' ' 672' ' ' ALA . 0.4 OUTLIER -59.41 -37.59 78.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -69.05 -34.85 75.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -70.14 -45.03 67.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . 0.729 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.7 m -67.72 -38.92 81.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 45.9 mt -63.57 -47.77 89.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -62.11 -44.58 96.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 95.4 m -66.58 -47.59 72.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . 0.585 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -63.34 -42.39 98.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.55 -35.97 80.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -70.1 -48.2 58.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -34.73 72.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.485 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -68.22 -44.68 75.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 3.3 pttt -74.41 -34.33 63.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . 0.473 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -60.87 -27.58 68.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.099 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -73.53 -31.05 63.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -58.71 -38.43 78.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.97 -28.5 62.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 764' ' ' THR . 0.5 OUTLIER -78.65 -39.6 36.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.528 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.5 p -71.28 -36.74 62.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.7 t -70.31 -33.5 71.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.66 -39.86 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.775 HG21 HG11 ' A' ' 654' ' ' VAL . 21.3 p -69.06 -40.75 78.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 94.5 m -65.73 -46.19 79.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -68.57 -20.88 64.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.52 -32.23 69.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 64.91 40.83 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -90.65 47.07 1.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.858 0.361 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -155.83 -74.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 141.16 113.15 0.99 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.12 160.55 0.12 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.626 0.726 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.677 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.6 Cg_endo -69.8 152.31 69.05 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.373 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 0.9 OUTLIER -97.37 137.2 21.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . 0.541 ' O ' HD13 ' A' ' 704' ' ' LEU . 53.4 Cg_endo -69.87 -49.13 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . 0.516 ' C ' HD23 ' A' ' 648' ' ' LEU . . . -105.12 -133.96 7.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.897 HD13 HG21 ' A' ' 654' ' ' VAL . 0.8 OUTLIER -129.45 155.35 80.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 0.0 110.918 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -51.66 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.725 2.283 . . . . 0.0 112.33 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.643 ' O ' HG23 ' A' ' 654' ' ' VAL . 1.8 m -123.93 119.99 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.885 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . 0.4 HG23 ' NZ ' ' A' ' 769' ' ' LYS . 5.1 m -66.42 -53.24 37.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.108 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.64 -48.3 79.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.571 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.2 m-20 -50.9 -37.04 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.897 HG21 HD13 ' A' ' 648' ' ' LEU . 90.9 t -69.77 -46.72 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.7 -52.95 47.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.6 pp -63.41 -30.69 71.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.745 ' O ' HG23 ' A' ' 661' ' ' VAL . 7.8 mmtp -70.32 -36.31 74.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -44.17 16.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -57.78 -36.63 72.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.821 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -71.65 -30.65 65.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 657' ' ' LYS . 73.6 t -63.34 -45.43 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.687 ' HA ' HD12 ' A' ' 665' ' ' ILE . 77.8 p -60.91 -37.59 82.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.12 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -68.22 -43.61 77.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -60.8 -34.34 74.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 662' ' ' THR . 16.2 mt -68.85 -37.82 77.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.18 -34.07 74.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -60.95 -37.59 82.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.79 -37.87 73.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 669' ' ' LEU . 4.2 mm? -66.66 -49.03 67.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -61.17 -37.57 83.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.76 -33.32 75.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.672 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.42 -49.03 53.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.051 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -65.04 -25.27 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -97.09 8.35 44.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 51.45 74.47 0.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -130.8 66.8 1.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -55.6 -33.11 63.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.33 -22.41 61.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 61.3 m -90.3 -6.21 55.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . 0.721 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -71.97 -31.0 65.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.564 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -61.27 -56.3 35.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.595 0.712 . . . . 0.0 111.095 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.77 -44.32 2.14 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.725 ' HB3' HD22 ' A' ' 668' ' ' LEU . 28.6 m -58.52 -39.76 81.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . 0.493 ' HA ' HD12 ' A' ' 687' ' ' ILE . 12.7 t -74.76 -32.27 62.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -71.17 -47.07 59.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -57.7 -33.28 68.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 684' ' ' SER . 50.0 mt -68.21 -37.46 78.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -65.79 -37.17 85.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.04 -46.16 82.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.678 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.85 -36.45 83.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.651 HG13 ' HG ' ' A' ' 714' ' ' LEU . 84.3 t -69.51 -51.36 42.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 87.0 m -66.37 -42.7 87.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.89 -39.21 80.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . 0.761 ' HE2' HG13 ' A' ' 654' ' ' VAL . 1.3 ttm -65.23 -49.77 68.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.02 -36.11 80.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 8.1 t -55.55 -35.92 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.448 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -65.93 -21.1 66.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.628 ' CZ ' HD22 ' A' ' 648' ' ' LEU . 45.7 m-85 -87.27 158.72 51.89 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.689 0.757 . . . . 0.0 110.86 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 168.6 21.17 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.623 2.215 . . . . 0.0 112.378 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -26.14 8.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -151.71 121.37 3.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.626 0.727 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 165.96 29.19 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.266 . . . . 0.0 112.371 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.677 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -120.97 23.67 10.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.571 HD23 HG23 ' A' ' 707' ' ' VAL . 1.2 tp -122.27 139.02 54.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.652 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 2.4 mm-40 -61.32 -51.75 75.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.635 0.731 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.74 -29.67 23.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.31 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . 0.571 HG23 HD23 ' A' ' 704' ' ' LEU . 25.3 t -67.19 -38.01 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.22 -45.98 82.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.1 m -73.52 -41.53 62.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . 0.438 ' HB2' HD13 ' A' ' 760' ' ' LEU . 84.9 p -59.48 -29.04 67.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.837 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 1.1 tp -75.75 -27.74 58.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -72.88 -40.57 65.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.668 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.0 pp -75.93 -32.86 59.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.668 ' N ' HD12 ' A' ' 713' ' ' LEU . 6.4 tp -67.23 -51.26 55.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -63.92 -45.79 87.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.98 -33.81 76.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -48.04 82.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . 0.463 ' HB2' HG21 ' A' ' 691' ' ' VAL . . . -72.87 -34.42 66.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.05 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -66.68 -38.48 86.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.03 -44.67 63.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -44.55 97.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -64.46 -44.77 90.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.972 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 12.9 m -66.23 -41.28 90.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -68.99 -49.24 59.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . 0.494 ' O ' HG23 ' A' ' 728' ' ' THR . 17.0 m -68.25 -27.32 66.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -53.62 -36.8 62.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 41.6 mtmt -99.21 34.91 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.722 ' HA ' HD21 ' A' ' 742' ' ' LEU . 0.7 OUTLIER -57.21 -178.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.86 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.2 t -118.89 65.21 6.85 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 111.13 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.94 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 54.2 Cg_endo -69.72 -26.03 28.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.702 2.268 . . . . 0.0 112.342 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.94 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.4 Cg_endo -69.78 -165.38 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.63 2.22 . . . . 0.0 112.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.441 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.9 OUTLIER -50.21 156.37 1.42 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.596 0.712 . . . . 0.0 110.929 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 54.0 Cg_endo -69.76 -15.86 37.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.242 . . . . 0.0 112.348 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -91.04 7.14 81.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.631 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.07 161.94 0.66 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.591 0.71 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.631 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 54.2 Cg_endo -69.71 -38.01 8.49 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.691 2.26 . . . . 0.0 112.355 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.509 ' CG1' HG22 ' A' ' 729' ' ' VAL . 44.6 t -51.32 147.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.02 87.64 7.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -51.92 -39.31 58.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -54.93 -54.22 45.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.51 -27.72 69.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.795 HD22 HG23 ' A' ' 729' ' ' VAL . 2.3 tp -58.69 -51.05 71.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . 0.672 HG23 ' HB1' ' A' ' 672' ' ' ALA . 2.2 m -60.77 -37.44 81.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -69.35 -34.82 75.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -70.39 -44.83 67.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . 0.721 HG11 ' CE2' ' A' ' 680' ' ' PHE . 23.5 m -67.46 -38.93 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.095 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . 0.509 HD11 HG22 ' A' ' 743' ' ' THR . 53.0 mt -65.49 -49.84 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -62.22 -46.01 90.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 61.7 m -65.56 -43.66 89.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . 0.438 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -65.09 -41.86 94.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -67.32 -36.02 80.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -48.54 59.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . 0.489 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.31 -34.39 69.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.469 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.4 -41.48 84.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -63.87 -38.44 91.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.96 -26.92 67.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -63.25 -38.58 91.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.079 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . 0.402 ' HA ' HG12 ' A' ' 761' ' ' VAL . 22.5 mtpt -66.69 -39.63 88.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . 0.401 ' HA ' HG22 ' A' ' 762' ' ' THR . 1.6 tt0 -74.11 -31.4 62.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 764' ' ' THR . 7.1 tp -78.83 -37.56 40.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' A' ' 758' ' ' LYS . 7.0 p -73.27 -32.32 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.069 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 759' ' ' GLN . 15.1 t -77.15 -35.46 56.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.69 -38.74 82.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.619 HG23 ' O ' ' A' ' 760' ' ' LEU . 61.4 p -67.62 -43.46 80.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 95.7 m -66.26 -49.1 68.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.28 -22.77 61.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.924 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.83 169.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -52.12 -35.73 49.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . 0.4 ' NZ ' HG23 ' A' ' 651' ' ' THR . 0.0 OUTLIER -86.77 147.65 25.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.825 0.345 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.06 -171.78 1.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -110.77 -73.66 0.73 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.53 160.11 35.9 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.693 0.759 . . . . 0.0 110.828 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.614 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.5 Cg_endo -69.77 152.54 69.28 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.422 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.8 t70 -101.25 137.94 19.81 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.61 0.719 . . . . 0.0 110.859 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . 0.519 ' O ' HD12 ' A' ' 704' ' ' LEU . 53.3 Cg_endo -69.74 -48.91 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.744 2.296 . . . . 0.0 112.332 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -111.06 -150.14 11.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.678 HD22 HG21 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -111.52 152.08 43.74 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.599 0.714 . . . . 0.0 110.965 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -50.52 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.319 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.593 ' O ' HG23 ' A' ' 654' ' ' VAL . 1.0 OUTLIER -123.59 121.54 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.7 m -65.26 -52.55 53.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -57.94 -47.01 84.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.475 ' HA ' HD21 ' A' ' 656' ' ' LEU . 30.8 m-20 -51.87 -36.35 48.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.678 HG21 HD22 ' A' ' 648' ' ' LEU . 90.1 t -70.06 -47.0 70.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.41 -53.46 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 657' ' ' LYS . 4.6 pp -63.61 -29.18 70.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.978 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.733 ' O ' HG23 ' A' ' 661' ' ' VAL . 2.8 mmtp -70.6 -36.88 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.46 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.63 -44.51 15.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -58.05 -36.27 72.52 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 15.5 pt20 -71.59 -31.15 66.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' ' 657' ' ' LYS . 70.3 t -63.06 -45.82 97.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.663 ' HA ' HD12 ' A' ' 665' ' ' ILE . 75.4 p -60.04 -37.01 78.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -68.41 -43.09 77.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.84 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -60.75 -35.71 77.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.8 mt -68.45 -39.86 81.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -55.85 -34.61 65.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.48 -38.34 86.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.708 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.45 -38.96 71.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.529 HD21 ' CB ' ' A' ' 750' ' ' ALA . 24.0 mt -70.0 -49.13 54.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 -60.07 -36.87 78.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 676' ' ' LYS . . . -68.6 -34.16 75.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -67.38 -49.1 65.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -64.97 -29.93 70.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -92.65 8.15 40.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 51.6 75.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . 0.442 ' HB2' ' HB1' ' A' ' 671' ' ' ALA . 17.0 mmmt -131.48 67.36 1.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -55.8 -32.79 63.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -22.44 61.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 62.3 m -91.03 -5.61 55.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . 0.734 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.2 m-30 -71.96 -35.2 69.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.566 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -56.87 -56.32 34.38 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.637 0.732 . . . . 0.0 111.133 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.3 Cg_endo -69.74 -43.3 2.76 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.317 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.708 ' HB3' HD22 ' A' ' 668' ' ' LEU . 14.9 m -58.2 -38.18 76.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.852 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 2.2 t -75.26 -32.44 61.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -72.7 -47.11 49.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.915 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -57.61 -34.64 69.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.506 HD11 ' HB2' ' A' ' 668' ' ' LEU . 59.3 mt -67.67 -37.4 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -65.38 -37.22 86.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.5 mt -57.37 -47.13 82.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.608 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.3 -36.29 81.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.619 HG13 ' HG ' ' A' ' 714' ' ' LEU . 89.9 t -71.05 -51.48 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 92.9 m -65.45 -41.31 93.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -58.78 -36.44 74.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -50.08 67.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -54.06 -36.99 63.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.053 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 40.2 t -55.68 -37.94 68.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.418 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.95 -20.88 65.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.629 ' CE1' HD23 ' A' ' 648' ' ' LEU . 95.5 m-85 -93.72 155.9 40.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.737 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 177.07 5.97 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.294 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.23 -31.32 13.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.38 130.3 6.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.722 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 159.03 54.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.614 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -111.39 16.4 20.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 646' ' ' PRO . 0.2 OUTLIER -116.98 140.88 48.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.626 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 15.9 mt-10 -62.47 -52.89 62.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.65 0.738 . . . . 0.0 110.853 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.6 Cg_endo -69.71 -34.94 13.73 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.318 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.02 -34.84 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 2.1 mtm180 -65.22 -46.09 82.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 9.5 m -73.04 -40.72 64.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . 0.44 ' HA ' HD21 ' A' ' 713' ' ' LEU . 2.6 t -59.4 -39.1 82.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 4.9 tp -76.44 -28.42 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -39.73 66.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.0 pp -75.85 -32.72 59.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.654 ' N ' HD12 ' A' ' 713' ' ' LEU . 7.9 tp -63.58 -50.99 67.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.03 -43.21 93.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.93 -34.01 76.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 47.3 m -63.42 -47.88 80.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.846 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -69.64 -29.96 67.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.23 -45.27 81.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -68.55 -41.21 80.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -40.68 89.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -45.46 85.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.62 -39.53 88.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -69.24 -49.48 55.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 728' ' ' THR . 13.9 m -69.21 -27.51 65.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -53.72 -36.77 62.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 15.7 mtmt -103.65 70.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 725' ' ' CYS . 4.9 p -88.81 -177.68 5.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.86 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.4 t -119.09 64.97 7.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.589 0.709 . . . . 0.0 111.18 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.929 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.6 Cg_endo -69.73 -26.04 28.1 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.647 2.231 . . . . 0.0 112.33 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.929 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.1 Cg_endo -69.7 -165.18 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.698 2.266 . . . . 0.0 112.342 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.45 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.8 OUTLIER -50.29 156.36 1.46 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.676 0.75 . . . . 0.0 110.861 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.5 Cg_endo -69.79 -15.31 36.91 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -92.17 7.71 78.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.626 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.07 161.92 0.66 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.535 0.683 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.626 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.4 Cg_endo -69.79 -37.91 8.44 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.657 2.238 . . . . 0.0 112.339 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.54 ' HB ' HG22 ' A' ' 729' ' ' VAL . 47.1 t -51.24 147.41 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.68 83.44 4.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -51.82 -37.98 53.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -54.87 -41.78 71.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.2 -29.6 61.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -49.07 79.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.94 -38.12 75.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -69.12 -35.02 75.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -70.2 -44.97 67.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . 0.734 HG11 ' CE2' ' A' ' 680' ' ' PHE . 24.4 m -67.73 -38.79 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.47 -49.37 78.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -62.18 -46.0 90.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 78.0 m -65.58 -47.54 75.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . 0.529 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -62.96 -42.23 99.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -67.54 -35.73 79.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.32 -48.3 61.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.852 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . 0.462 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -65.93 -34.72 72.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.44 -44.16 79.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.094 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -66.85 -39.24 87.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.84 -27.49 68.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.31 95.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -58.77 -38.14 77.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -73.07 -28.43 62.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.63 -39.16 37.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.46 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.2 p -71.8 -36.69 59.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.0 t -70.18 -32.6 70.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.2 mm -66.34 -42.46 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.675 HG22 HD11 ' A' ' 648' ' ' LEU . 66.6 p -66.32 -42.68 87.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 92.2 m -66.07 -49.04 69.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -67.13 -32.88 74.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -57.51 153.89 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.6 55.44 1.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.84 138.03 24.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 8.8 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.75 -178.7 7.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -77.23 -112.88 0.15 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.57 160.53 1.9 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.567 0.698 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.698 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 54.1 Cg_endo -69.77 152.23 69.22 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.643 2.229 . . . . 0.0 112.345 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.475 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.0 OUTLIER -97.92 137.08 20.89 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.619 0.723 . . . . 0.0 110.876 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -49.05 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.281 . . . . 0.0 112.33 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -107.04 -145.76 12.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.811 HD13 HG21 ' A' ' 654' ' ' VAL . 0.2 OUTLIER -114.41 157.85 41.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -51.96 0.35 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.731 2.287 . . . . 0.0 112.307 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.698 ' O ' HG23 ' A' ' 654' ' ' VAL . 11.1 m -124.25 119.97 30.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.3 m -66.43 -53.58 34.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.122 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -48.89 78.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.481 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.1 t70 -50.69 -36.22 34.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.829 HG11 HG21 ' A' ' 764' ' ' THR . 90.4 t -70.38 -46.86 69.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -56.63 -53.15 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 653' ' ' ASP . 4.4 pp -64.6 -29.49 70.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.736 ' O ' HG23 ' A' ' 661' ' ' VAL . 2.2 mmtp -71.17 -36.97 72.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.608 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.3 OUTLIER -82.21 -44.32 16.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.145 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.74 -36.47 72.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.438 HE21 ' HB2' ' A' ' 690' ' ' ALA . 14.8 pt20 -71.94 -30.6 65.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 657' ' ' LYS . 66.8 t -63.65 -45.44 97.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.71 ' HA ' HD12 ' A' ' 665' ' ' ILE . 82.1 p -60.74 -37.02 80.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.33 -43.86 76.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -60.73 -34.93 75.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 662' ' ' THR . 16.8 mt -67.85 -38.56 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -58.75 -34.25 71.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -61.17 -35.98 78.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.24 -38.23 71.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 751' ' ' TYR . 10.4 mp -68.08 -49.32 62.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -59.29 -37.0 76.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.15 -32.71 74.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.607 ' HB1' ' CG2' ' A' ' 743' ' ' THR . . . -71.46 -49.4 41.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -61.75 -20.04 63.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -99.85 11.41 39.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 53.03 64.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -128.66 82.81 2.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -64.67 -38.24 90.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -69.36 -23.6 63.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 36.4 m -74.88 -14.84 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -71.71 -35.32 70.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.54 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.01 -57.32 20.15 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.9 Cg_endo -69.78 -44.44 2.06 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.266 . . . . 0.0 112.349 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.71 ' HB3' HD22 ' A' ' 668' ' ' LEU . 24.7 m -60.02 -34.5 73.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 8.3 t -74.48 -32.29 62.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.39 -47.87 62.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -58.65 -34.34 71.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 691' ' ' VAL . 52.5 mt -68.86 -37.82 77.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -63.88 -36.58 84.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -56.86 -49.33 75.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.691 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.98 -36.66 84.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.076 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.771 HG13 ' HG ' ' A' ' 714' ' ' LEU . 95.4 t -67.13 -51.95 48.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 81.4 m -67.62 -42.41 82.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -63.54 -42.68 98.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . 0.411 ' HE3' HG13 ' A' ' 654' ' ' VAL . 0.0 OUTLIER -65.1 -50.0 67.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -64.96 -36.44 84.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 2.5 t -56.07 -36.36 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.482 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.5 OUTLIER -63.44 -21.6 66.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.639 ' CE2' HD22 ' A' ' 648' ' ' LEU . 47.4 m-85 -87.75 151.31 49.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 148.71 65.54 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -19.67 44.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -130.46 87.55 49.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 152.98 69.68 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.739 2.293 . . . . 0.0 112.342 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -112.23 22.1 15.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.451 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.4 OUTLIER -118.81 137.54 53.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.65 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 1.8 mt-10 -61.76 -51.96 72.27 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.632 0.729 . . . . 0.0 110.859 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.65 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.7 -28.57 25.36 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.246 . . . . 0.0 112.356 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.66 -37.42 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -65.52 -45.52 83.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 1.7 m -75.11 -39.39 60.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . 0.603 ' HB3' HD23 ' A' ' 760' ' ' LEU . 29.7 m -59.16 -28.91 67.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.67 -27.68 58.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -73.07 -40.45 65.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.727 HD13 ' HB1' ' A' ' 756' ' ' ALA . 4.0 pp -75.87 -32.81 59.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.771 ' HG ' HG13 ' A' ' 691' ' ' VAL . 3.2 tp -67.1 -51.19 57.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -64.88 -43.22 93.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.04 -33.77 76.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 1.4 m -61.94 -48.12 81.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -67.27 -29.93 69.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -73.17 -45.78 54.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -62.74 -45.18 93.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.92 -45.29 93.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -56.81 -34.72 67.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.27 -37.67 86.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.807 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -68.72 -49.32 59.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 7.3 p -65.69 -26.66 67.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -49.17 71.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . 0.731 ' O ' HD21 ' A' ' 742' ' ' LEU . 0.2 OUTLIER -105.36 78.1 1.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.709 HG22 ' CD1' ' A' ' 742' ' ' LEU . 22.0 p -103.63 -177.24 3.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.872 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 0.5 OUTLIER -124.57 60.38 24.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.612 0.72 . . . . 0.0 111.084 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.931 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.4 Cg_endo -69.79 -25.92 27.97 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.617 2.212 . . . . 0.0 112.347 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.931 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.4 Cg_endo -69.7 -87.88 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.692 2.262 . . . . 0.0 112.402 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.422 ' O ' HG12 ' A' ' 729' ' ' VAL . 0.7 OUTLIER -136.55 156.09 76.54 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.9 Cg_endo -69.77 -14.16 35.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -76.55 -10.24 85.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.658 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.87 162.55 0.76 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.555 0.693 . . . . 0.0 111.11 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.658 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 54.4 Cg_endo -69.73 -8.34 23.35 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.71 2.273 . . . . 0.0 112.347 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.636 ' CG2' HG22 ' A' ' 729' ' ' VAL . 2.9 m -98.75 120.33 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . 0.461 ' HB3' HD23 ' A' ' 741' ' ' LEU . 0.7 OUTLIER -54.71 100.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -50.94 -33.26 23.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -71.24 -37.19 72.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.461 HD23 ' HB3' ' A' ' 738' ' ' ASP . 3.7 mm? -66.54 -33.37 75.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.731 HD21 ' O ' ' A' ' 727' ' ' LYS . 0.2 OUTLIER -58.87 -41.23 86.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . 0.607 ' CG2' ' HB1' ' A' ' 672' ' ' ALA . 0.2 OUTLIER -73.43 -35.36 65.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.153 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -69.78 -35.24 74.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -69.89 -45.28 67.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . . . . . . . . . 22.2 m -66.66 -38.88 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.071 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 59.4 mt -67.48 -50.04 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -60.46 -46.18 90.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 4.0 t -63.8 -47.99 78.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . 0.596 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -59.81 -42.26 93.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.116 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . 0.415 ' CE1' HD21 ' A' ' 669' ' ' LEU . 1.5 m-85 -67.52 -35.67 79.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -69.04 -48.08 63.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . 0.4 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -65.66 -34.42 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.465 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.25 -44.04 80.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 4.3 mttm -65.74 -36.68 84.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . 0.727 ' HB1' HD13 ' A' ' 713' ' ' LEU . . . -65.74 -26.85 67.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.27 -37.77 74.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 2.0 mtpt -58.9 -38.25 78.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.08 -28.37 62.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . 0.668 ' O ' HG23 ' A' ' 764' ' ' THR . 0.3 OUTLIER -78.66 -39.38 37.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.608 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.4 p -71.46 -36.64 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.3 t -70.43 -33.08 70.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.128 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.4 mm -66.63 -38.91 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.829 HG21 HG11 ' A' ' 654' ' ' VAL . 17.9 p -66.97 -41.91 86.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 39.4 m -65.29 -49.09 70.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -66.79 -28.8 68.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -62.8 154.03 31.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -99.3 -51.56 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 37.14 43.42 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 85.1 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -146.09 31.15 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 101.42 -175.18 25.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.62 160.54 81.94 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.693 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.4 Cg_endo -69.79 152.22 69.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.7 t70 -97.09 136.9 21.29 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.611 0.72 . . . . 0.0 110.856 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -49.11 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . 0.499 ' C ' HD23 ' A' ' 648' ' ' LEU . . . -106.02 -133.8 7.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.475 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.875 HD13 HG21 ' A' ' 654' ' ' VAL . 0.9 OUTLIER -128.7 154.96 79.84 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.62 0.724 . . . . 0.0 110.883 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -51.65 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.715 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.9 m -124.18 120.32 31.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.7 m -66.18 -53.16 40.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -57.88 -48.44 79.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.47 ' HA ' HD21 ' A' ' 656' ' ' LEU . 3.4 t70 -51.08 -35.2 33.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.875 HG21 HD13 ' A' ' 648' ' ' LEU . 99.1 t -70.35 -47.07 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.08 -53.52 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 657' ' ' LYS . 4.6 pp -63.78 -28.97 70.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' 661' ' ' VAL . 3.0 mmtp -70.8 -36.7 73.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.517 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.2 OUTLIER -82.64 -44.58 15.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -57.46 -36.16 71.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -71.65 -30.31 65.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.827 HG22 ' HB1' ' A' ' 690' ' ' ALA . 70.4 t -62.83 -47.79 91.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.687 ' HA ' HD12 ' A' ' 665' ' ' ILE . 73.2 p -58.89 -35.71 73.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.8 mmpt? -68.14 -44.1 76.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -60.6 -38.5 84.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 662' ' ' THR . 14.3 mt -64.81 -38.24 82.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -56.86 -33.91 67.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -61.54 -38.29 86.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.43 -39.79 70.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.548 HD21 ' CB ' ' A' ' 750' ' ' ALA . 23.4 mt -70.05 -49.6 49.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -59.11 -36.88 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.14 -31.18 70.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.753 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -69.32 -49.2 58.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -64.22 -34.42 78.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -85.13 -3.71 58.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 61.85 75.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -134.45 69.13 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -56.32 -30.4 62.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.49 -22.47 61.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 1.7 t -91.31 -6.2 53.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.816 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . 0.73 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.3 m-30 -71.16 -34.47 71.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.572 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.4 t -59.25 -55.73 43.28 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.648 0.737 . . . . 0.0 111.153 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.572 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.8 Cg_endo -69.81 -40.25 5.47 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.725 ' HB3' HD22 ' A' ' 668' ' ' LEU . 6.9 m -58.54 -34.47 71.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.37 -32.87 58.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -69.33 -47.83 63.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -57.53 -37.03 72.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 691' ' ' VAL . 58.7 mt -67.3 -37.05 78.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . 0.405 ' ND1' ' HB1' ' A' ' 718' ' ' ALA . 6.3 m-70 -64.53 -36.87 85.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.4 mt -56.96 -47.66 80.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.827 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.17 -36.35 83.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.742 HG13 ' HG ' ' A' ' 714' ' ' LEU . 92.9 t -68.6 -51.44 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 57.0 m -67.08 -43.57 82.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.83 -38.38 78.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -65.07 -49.79 68.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.99 -36.02 82.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 9.4 t -55.4 -38.2 68.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.466 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.97 -20.77 65.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.562 ' CZ ' HD22 ' A' ' 648' ' ' LEU . 53.1 m-85 -89.81 158.12 45.35 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.731 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 169.6 18.58 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.645 2.23 . . . . 0.0 112.349 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -25.34 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.38 120.3 3.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.605 0.717 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.75 165.38 31.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.706 2.271 . . . . 0.0 112.341 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.693 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -120.72 25.04 9.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.431 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.6 OUTLIER -124.48 140.11 53.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.634 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 0.9 OUTLIER -61.49 -52.8 67.41 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.636 0.731 . . . . 0.0 110.886 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.8 Cg_endo -69.78 -29.07 24.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.378 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . . . . . . . . . 34.6 t -67.38 -37.21 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -45.93 83.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 17.4 m -74.25 -42.05 60.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . 0.447 ' HA ' HD21 ' A' ' 713' ' ' LEU . 77.9 p -60.18 -38.2 82.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.831 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.09 -29.1 57.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.58 -39.9 67.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.649 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.1 pp -76.08 -32.71 59.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.742 ' HG ' HG13 ' A' ' 691' ' ' VAL . 10.4 tp -60.73 -51.1 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -64.53 -38.61 91.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.95 76.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -37.4 84.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . 0.405 ' HB1' ' ND1' ' A' ' 688' ' ' HIS . . . -71.88 -36.74 70.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.095 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.89 -46.16 82.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 54.4 ttt180 -63.82 -46.12 86.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 721' ' ' LEU . 0.4 OUTLIER -60.08 -38.14 82.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.87 -47.47 80.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 38.1 m -66.9 -44.44 80.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -60.54 -49.89 75.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . 0.456 ' SG ' HD21 ' A' ' 668' ' ' LEU . 10.2 m -69.63 -35.22 75.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.838 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -53.67 -36.78 62.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -97.8 66.89 1.95 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.695 HG21 ' HB2' ' A' ' 680' ' ' PHE . 0.6 OUTLIER -99.14 177.23 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.166 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.879 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 1.7 t -119.82 65.24 9.59 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.928 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.9 Cg_endo -69.8 -25.35 28.52 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.928 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.0 Cg_endo -69.76 -88.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.646 2.231 . . . . 0.0 112.362 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.429 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.7 OUTLIER -139.23 155.5 72.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.672 0.749 . . . . 0.0 110.846 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.7 Cg_endo -69.77 -12.74 33.51 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.357 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -82.27 -8.09 86.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.62 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -56.5 161.33 4.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.553 0.692 . . . . 0.0 111.104 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.62 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.9 Cg_endo -69.75 -9.0 25.03 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.366 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.423 ' CG1' HG22 ' A' ' 729' ' ' VAL . 94.6 t -72.06 144.52 13.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.87 81.05 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -52.0 -36.4 49.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -50.95 29.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -28.91 69.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -47.75 84.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . 0.753 HG23 ' HB1' ' A' ' 672' ' ' ALA . 37.3 m -58.21 -37.61 75.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -35.07 75.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -70.1 -45.09 67.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . 0.73 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.5 m -67.33 -38.86 81.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . 0.609 ' CD1' HG22 ' A' ' 743' ' ' THR . 52.0 mt -64.03 -45.77 95.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.209 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -62.19 -46.07 90.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 3.2 t -66.97 -46.66 73.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . 0.548 ' CB ' HD21 ' A' ' 669' ' ' LEU . . . -62.84 -41.89 99.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -67.37 -35.88 80.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -68.27 -48.42 65.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . 0.482 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.29 -34.95 73.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.11 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.73 -44.21 78.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.087 179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -68.23 -38.98 82.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . 0.489 ' HB1' ' CD1' ' A' ' 713' ' ' LEU . . . -60.81 -27.1 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -70.89 -38.67 73.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -58.8 -38.26 78.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.05 -28.46 62.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . 0.672 ' O ' HG23 ' A' ' 764' ' ' THR . 0.3 OUTLIER -78.62 -39.3 37.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.517 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.3 p -71.57 -36.54 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.6 t -70.56 -33.49 71.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.62 -38.75 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 760' ' ' LEU . 20.5 p -67.75 -43.52 79.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 97.2 m -66.16 -49.08 68.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -23.5 62.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.08 164.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -33.79 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 2.6 tptp 58.03 94.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.828 0.347 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -145.27 154.81 42.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 130.81 -177.82 18.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.504 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.08 155.64 6.27 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.56 0.695 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.714 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.5 Cg_endo -69.77 152.09 69.16 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.5 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.1 t70 -98.39 136.98 20.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.58 0.705 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . . . . . . . . . . . -118.14 -140.88 6.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.457 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.865 HD13 HG21 ' A' ' 654' ' ' VAL . 0.5 OUTLIER -108.65 152.22 42.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.57 0.7 . . . . 0.0 110.913 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -51.79 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.721 ' O ' HG23 ' A' ' 654' ' ' VAL . 4.7 m -124.29 121.54 35.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.01 -53.18 50.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -58.5 -48.04 82.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.533 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.3 t70 -51.76 -36.44 47.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.865 HG21 HD13 ' A' ' 648' ' ' LEU . 93.3 t -68.97 -47.19 77.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.77 -52.73 50.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.75 -30.12 71.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.955 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.743 ' O ' HG23 ' A' ' 661' ' ' VAL . 4.5 mmtm -70.99 -36.78 72.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.677 HG21 ' HB ' ' A' ' 761' ' ' VAL . 0.5 OUTLIER -82.16 -44.45 16.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -57.71 -36.35 71.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -71.73 -30.62 65.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.819 HG22 ' HB1' ' A' ' 690' ' ' ALA . 77.8 t -63.58 -47.25 92.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.718 ' HA ' HD12 ' A' ' 665' ' ' ILE . 79.1 p -58.79 -36.04 73.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -68.19 -44.93 74.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 50.4 m-20 -60.59 -32.78 71.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 662' ' ' THR . 12.7 mt -72.03 -37.97 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.1 -34.33 71.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -61.38 -35.7 78.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.7 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.92 -38.39 72.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.62 -49.13 64.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 24.9 ptt85 -60.69 -37.38 81.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -65.62 -31.77 72.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -71.31 -49.29 44.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.83 -23.26 67.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -94.66 10.34 35.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 51.52 64.79 1.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -128.59 84.8 2.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -64.86 -38.56 91.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.839 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -69.35 -23.05 63.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 36.8 m -75.52 -15.02 60.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . 0.548 ' CD2' HG11 ' A' ' 746' ' ' VAL . 18.3 m-30 -71.77 -35.19 69.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.539 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -55.06 -57.28 20.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.641 0.734 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.539 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.5 Cg_endo -69.8 -44.49 2.02 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.7 ' HB3' HD22 ' A' ' 668' ' ' LEU . 23.9 m -59.92 -34.26 72.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 8.7 t -75.25 -32.3 61.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.53 -47.7 59.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -58.14 -37.5 74.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.602 ' O ' HG23 ' A' ' 691' ' ' VAL . 56.4 mt -66.34 -37.5 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -63.95 -37.05 85.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 4.9 mt -57.7 -49.91 74.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.819 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -62.63 -36.61 83.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 687' ' ' ILE . 72.2 t -68.48 -51.54 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 92.7 m -67.04 -43.14 83.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -59.32 -37.46 77.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 2.3 ttp -65.16 -49.88 68.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -67.51 -36.4 80.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 1.1 m -55.33 -39.4 69.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -62.65 -20.58 64.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.555 ' CE1' HD22 ' A' ' 648' ' ' LEU . 70.3 m-85 -101.98 154.34 37.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 156.56 63.02 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -14.43 60.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.73 84.22 39.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.54 0.686 . . . . 0.0 110.873 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 162.29 42.63 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.678 2.252 . . . . 0.0 112.368 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.714 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -109.27 18.21 20.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.072 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.445 HD13 ' CG2' ' A' ' 707' ' ' VAL . 0.5 OUTLIER -111.61 135.17 52.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.667 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 3.1 mt-10 -62.32 -51.02 76.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.729 . . . . 0.0 110.898 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 54.3 Cg_endo -69.72 -29.17 24.48 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.654 2.236 . . . . 0.0 112.39 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . 0.445 ' CG2' HD13 ' A' ' 704' ' ' LEU . 17.7 t -66.31 -37.55 79.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -66.22 -45.98 78.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . 0.444 ' O ' HD23 ' A' ' 713' ' ' LEU . 2.7 m -75.03 -35.24 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.814 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . 0.592 ' HA ' HD21 ' A' ' 713' ' ' LEU . 15.7 m -59.61 -32.3 70.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.4 -27.45 60.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -59.84 -54.62 44.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.604 HD23 ' H ' ' A' ' 713' ' ' LEU . 1.1 pt? -76.9 -32.08 57.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.97 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 691' ' ' VAL . 68.0 tp -60.38 -51.5 69.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -65.64 -44.42 86.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.92 -33.39 75.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -48.04 82.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -70.0 -30.02 67.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -75.55 -35.2 60.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -71.36 -42.47 68.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.86 -39.16 84.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -62.3 -39.67 93.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -37.6 85.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -68.09 -49.52 60.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 9.0 p -66.39 -26.68 67.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -65.32 -36.95 85.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . 0.597 ' O ' HD11 ' A' ' 742' ' ' LEU . 0.0 OUTLIER -106.32 73.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . . . . . . . . . 21.6 p -115.19 -177.85 3.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.893 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 1.6 t -119.28 65.82 8.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.649 0.738 . . . . 0.0 111.138 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.918 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.1 Cg_endo -69.81 -25.3 28.53 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.326 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.918 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.6 Cg_endo -69.79 -88.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.429 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.8 OUTLIER -138.77 155.55 73.23 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.583 0.706 . . . . 0.0 110.902 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.3 Cg_endo -69.82 -13.64 34.8 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.308 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -81.24 -9.56 85.86 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.458 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -54.99 161.44 2.38 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.622 0.725 . . . . 0.0 111.086 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 53.4 Cg_endo -69.8 -8.51 23.79 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.356 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.423 ' CG1' HG22 ' A' ' 729' ' ' VAL . 97.7 t -75.97 144.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.88 86.53 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -55.31 -26.49 40.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -68.38 -54.53 16.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.01 -27.84 69.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.597 HD11 ' O ' ' A' ' 727' ' ' LYS . 1.3 mm? -58.86 -50.07 75.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -36.78 73.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -70.11 -34.91 73.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -70.55 -45.91 64.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . 0.548 HG11 ' CD2' ' A' ' 680' ' ' PHE . 20.1 m -64.79 -38.81 83.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.148 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 54.1 mt -65.54 -48.31 83.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.154 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -59.55 -46.34 89.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 95.0 m -62.94 -45.18 93.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.81 94.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -67.85 -35.59 78.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -70.34 -48.35 56.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -34.29 69.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.604 ' HB2' HG21 ' A' ' 665' ' ' ILE . . . -67.18 -42.79 83.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -64.57 -35.34 80.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . 0.482 ' HB2' HD12 ' A' ' 713' ' ' LEU . . . -64.09 -37.85 88.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.08 89.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . 0.407 ' HA ' HG12 ' A' ' 761' ' ' VAL . 16.2 mtpt -58.79 -38.52 78.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -72.92 -28.13 62.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . 0.674 ' O ' HG23 ' A' ' 764' ' ' THR . 0.2 OUTLIER -78.79 -39.61 35.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.677 ' HB ' HG21 ' A' ' 658' ' ' THR . 7.2 p -71.03 -36.87 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 14.5 t -70.09 -33.15 71.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 4.5 mm -66.77 -38.94 82.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.717 HG21 HG11 ' A' ' 654' ' ' VAL . 17.8 p -67.28 -40.85 86.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 60.4 m -65.97 -49.19 68.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -65.88 -21.05 66.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.56 -32.3 69.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm 64.88 27.15 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.853 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 113.45 20.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.911 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.816 0.341 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 55.74 -174.18 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . -110.88 -131.0 5.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.57 158.47 1.5 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.646 0.736 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.707 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.8 Cg_endo -69.77 152.26 69.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' A' ' 703' ' ' ALA . 1.4 t70 -98.02 137.54 20.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 110.838 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -49.27 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . 0.575 ' C ' HD13 ' A' ' 648' ' ' LEU . . . -109.56 -144.53 10.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.514 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.575 HD13 ' C ' ' A' ' 647' ' ' GLY . 0.2 OUTLIER -112.13 151.5 43.68 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.592 0.71 . . . . 0.0 110.905 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 -51.05 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.673 2.249 . . . . 0.0 112.353 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.709 ' O ' HG23 ' A' ' 654' ' ' VAL . 1.2 m -123.86 120.77 33.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.6 m -65.24 -53.33 46.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -58.2 -47.79 82.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.537 ' HA ' HD21 ' A' ' 656' ' ' LEU . 42.5 m-20 -51.87 -36.48 48.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.761 HG11 HG21 ' A' ' 764' ' ' THR . 96.6 t -69.1 -47.12 76.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.93 -52.88 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.537 HD21 ' HA ' ' A' ' 653' ' ' ASP . 3.5 pp -64.3 -30.17 71.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.739 ' O ' HG23 ' A' ' 661' ' ' VAL . 5.7 mmtm -70.77 -36.67 73.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . 0.614 HG22 ' HB1' ' A' ' 757' ' ' ALA . 0.3 OUTLIER -82.34 -44.41 16.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.95 -36.2 72.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 657' ' ' LYS . 11.2 pt20 -71.5 -30.58 66.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.828 HG22 ' HB1' ' A' ' 690' ' ' ALA . 72.4 t -63.97 -46.05 95.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.718 ' HA ' HD12 ' A' ' 665' ' ' ILE . 72.9 p -60.16 -35.67 75.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.135 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -67.77 -44.93 76.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 -60.57 -36.7 79.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 662' ' ' THR . 12.6 mt -66.89 -39.23 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -56.49 -34.01 66.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -61.61 -38.15 86.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.727 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -71.62 -40.16 69.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.579 HD21 ' HB3' ' A' ' 750' ' ' ALA . 22.9 mt -69.86 -49.57 51.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -58.85 -36.79 75.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -68.25 -31.13 70.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.903 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -67.93 -49.07 63.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -65.66 -36.46 83.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -81.94 -4.25 56.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 61.83 74.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -133.85 68.6 1.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -56.23 -30.24 62.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -71.54 -22.49 61.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . 0.403 ' C ' ' HD2' ' A' ' 682' ' ' PRO . 1.5 t -90.73 -6.8 53.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . 0.769 ' HB2' HG21 ' A' ' 728' ' ' THR . 3.2 m-30 -71.07 -34.58 71.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.57 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.4 t -59.08 -55.82 42.46 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.095 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 53.6 Cg_endo -69.75 -40.61 5.13 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.677 2.252 . . . . 0.0 112.325 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.727 ' HB3' HD22 ' A' ' 668' ' ' LEU . 7.5 m -58.32 -33.6 69.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -33.03 59.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.95 -47.52 62.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 1.6 ptpm? -57.47 -37.23 72.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 691' ' ' VAL . 58.6 mt -67.34 -37.26 78.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.145 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -64.13 -36.62 84.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.6 -48.56 77.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.828 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -63.19 -36.49 83.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.615 HG13 ' HG ' ' A' ' 714' ' ' LEU . 98.3 t -68.1 -51.66 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.104 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 60.5 m -67.23 -44.25 79.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.98 -36.42 74.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -49.69 69.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.07 80.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 40.8 t -55.52 -36.29 66.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -65.49 -20.69 66.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.571 ' CE2' HD12 ' A' ' 648' ' ' LEU . 47.5 m-85 -88.33 158.27 49.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.64 0.733 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 172.59 12.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.258 . . . . 0.0 112.363 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -22.81 20.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -156.56 122.34 2.5 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.631 0.729 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 162.56 41.59 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.255 . . . . 0.0 112.355 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.707 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -119.53 25.03 10.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.436 HD13 HG23 ' A' ' 707' ' ' VAL . 1.5 mt -125.77 140.38 52.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.634 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 1.3 mt-10 -61.44 -52.81 67.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.655 0.741 . . . . 0.0 110.856 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.7 Cg_endo -69.75 -28.86 24.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.339 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . 0.436 HG23 HD13 ' A' ' 704' ' ' LEU . 35.3 t -67.63 -38.08 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -64.92 -46.03 83.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.49 -42.03 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . 0.442 ' HA ' HD21 ' A' ' 713' ' ' LEU . 57.3 m -60.02 -38.38 82.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . 0.638 ' O ' HD23 ' A' ' 711' ' ' LEU . 3.8 tt -76.02 -29.06 57.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.64 -40.04 66.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.65 HD12 ' N ' ' A' ' 714' ' ' LEU . 4.1 pp -75.95 -32.64 59.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.65 ' N ' HD12 ' A' ' 713' ' ' LEU . 8.5 tp -60.73 -50.59 72.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -38.24 90.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.08 -33.78 76.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.091 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.81 -36.31 80.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.816 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.09 68.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.052 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.9 -46.03 83.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 5.0 mtt-85 -64.02 -46.16 85.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -38.11 81.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -47.44 81.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 31.1 t -66.76 -44.82 80.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -60.51 -49.57 77.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . . . . . . . . . 10.5 m -69.47 -35.9 76.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.88 -36.75 63.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.89 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . 0.462 ' HE3' HD21 ' A' ' 742' ' ' LEU . 1.5 ptmt -101.64 54.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.769 HG21 ' HB2' ' A' ' 680' ' ' PHE . 0.6 OUTLIER -84.36 179.7 7.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.861 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 2.4 t -119.77 64.5 8.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.63 0.728 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.922 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.1 Cg_endo -69.82 -25.96 27.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.922 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 53.3 Cg_endo -69.82 -165.14 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.248 . . . . 0.0 112.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.453 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 0.8 OUTLIER -50.17 156.45 1.38 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.66 0.743 . . . . 0.0 110.861 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.9 Cg_endo -69.76 -14.88 36.72 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.686 2.257 . . . . 0.0 112.343 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -92.78 7.79 76.85 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.634 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -50.94 161.63 0.66 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 111.07 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.634 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 54.0 Cg_endo -69.74 -37.56 9.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.713 2.275 . . . . 0.0 112.368 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.537 ' HB ' HG22 ' A' ' 729' ' ' VAL . 45.7 t -50.91 147.6 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.83 83.15 5.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -51.89 -35.9 46.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -56.65 -49.33 75.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.95 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.53 -28.03 62.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.462 HD21 ' HE3' ' A' ' 727' ' ' LYS . 1.3 mm? -58.99 -49.91 76.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . 0.903 HG23 ' HB1' ' A' ' 672' ' ' ALA . 1.1 m -57.93 -37.64 74.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -69.44 -35.01 75.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -70.34 -45.22 66.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . 0.737 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.5 m -66.78 -38.92 82.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . . . . . . . . . 47.2 mt -63.62 -45.45 97.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -62.19 -45.19 94.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 2.4 t -67.05 -46.65 73.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . 0.6 ' HB1' HG23 ' A' ' 665' ' ' ILE . . . -63.36 -41.79 98.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -67.43 -35.6 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -68.67 -48.19 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -34.77 72.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . 0.564 ' HB2' HD13 ' A' ' 665' ' ' ILE . . . -67.44 -44.12 79.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 15.8 mtpt -63.97 -33.45 75.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.88 -27.01 67.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . 0.614 ' HB1' HG22 ' A' ' 658' ' ' THR . . . -70.02 -31.53 69.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . 0.416 ' HA ' HG12 ' A' ' 761' ' ' VAL . 2.8 mtpt -66.4 -39.44 89.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.937 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . 0.4 ' HA ' HG22 ' A' ' 762' ' ' THR . 1.8 mt-30 -74.04 -31.31 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.962 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . 0.691 ' O ' HG23 ' A' ' 764' ' ' THR . 1.3 tt -78.78 -37.71 40.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 758' ' ' LYS . 7.7 p -73.21 -32.21 37.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.077 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 759' ' ' GLN . 15.1 t -77.17 -35.14 56.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.8 mm -66.56 -39.16 83.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.761 HG21 HG11 ' A' ' 654' ' ' VAL . 42.3 p -69.13 -40.99 77.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.067 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 88.6 m -65.75 -49.15 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.169 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -63.19 -33.32 75.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -53.16 157.8 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.13 5.81 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -72.32 133.3 44.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.796 0.331 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -89.04 -177.49 5.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . 128.76 169.19 12.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.53 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -51.59 160.93 0.92 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.594 0.712 . . . . 0.0 110.829 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' PRO . . . . . 0.696 ' HB2' ' HB2' ' A' ' 703' ' ' ALA . 53.9 Cg_endo -69.77 152.02 69.16 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.668 2.245 . . . . 0.0 112.352 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -98.45 136.95 20.67 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.579 0.704 . . . . 0.0 110.933 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -48.95 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.296 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' GLY . . . . . 0.56 ' C ' HD23 ' A' ' 648' ' ' LEU . . . -108.07 -132.42 6.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' LEU . . . . . 0.866 HD13 HG21 ' A' ' 654' ' ' VAL . 0.2 OUTLIER -124.77 156.76 68.0 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.606 0.717 . . . . 0.0 110.9 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -52.12 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.317 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' SER . . . . . 0.662 ' O ' HG23 ' A' ' 654' ' ' VAL . 2.7 m -124.14 120.24 31.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.836 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' THR . . . . . . . . . . . . . 4.5 m -66.16 -53.3 39.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -58.03 -48.46 80.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' ASP . . . . . 0.484 ' HA ' HD21 ' A' ' 656' ' ' LEU . 1.2 m-20 -50.78 -36.5 37.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' VAL . . . . . 0.866 HG21 HD13 ' A' ' 648' ' ' LEU . 89.5 t -70.11 -46.81 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' ILE . . . . . . . . . . . . . 1.6 mp -58.03 -53.38 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 657' ' ' LYS . 4.6 pp -63.34 -29.56 70.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.927 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' LYS . . . . . 0.74 ' O ' HG23 ' A' ' 661' ' ' VAL . 2.3 mmtp -69.74 -37.26 76.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.27 -44.02 16.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -57.74 -36.7 72.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -71.63 -30.52 65.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' VAL . . . . . 0.772 HG22 ' HB1' ' A' ' 690' ' ' ALA . 76.3 t -62.95 -46.78 95.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' THR . . . . . 0.666 ' HA ' HD12 ' A' ' 665' ' ' ILE . 69.0 p -59.53 -37.15 77.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.174 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -68.37 -43.09 78.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' ASN . . . . . . . . . . . . . 54.0 m-20 -60.84 -36.44 79.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 662' ' ' THR . 15.9 mt -67.13 -38.19 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -33.56 67.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -60.36 -37.36 80.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.759 HD22 ' HB3' ' A' ' 683' ' ' CYS . 0.0 OUTLIER -70.91 -39.14 72.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' LEU . . . . . 0.419 HD21 ' HB1' ' A' ' 750' ' ' ALA . 4.3 mm? -68.29 -49.55 59.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -60.31 -37.19 79.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' ALA . . . . . . . . . . . . . . . -67.34 -31.73 72.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.785 ' HB1' HG23 ' A' ' 743' ' ' THR . . . -70.68 -49.15 50.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -63.24 -32.3 73.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -86.84 -3.16 59.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 61.51 72.25 0.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -132.51 74.1 1.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -60.18 -29.72 68.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.818 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 678' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -71.45 -22.87 61.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.54 -6.55 54.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 680' ' ' PHE . . . . . 0.735 ' CE2' HG11 ' A' ' 746' ' ' VAL . 3.4 m-30 -71.6 -39.92 70.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 681' ' ' VAL . . . . . 0.569 ' N ' ' HD2' ' A' ' 682' ' ' PRO . 2.3 t -52.47 -56.31 23.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.74 . . . . 0.0 111.088 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 682' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 681' ' ' VAL . 54.1 Cg_endo -69.74 -43.91 2.4 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.376 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 683' ' ' CYS . . . . . 0.759 ' HB3' HD22 ' A' ' 668' ' ' LEU . 12.3 m -57.35 -34.16 68.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 684' ' ' SER . . . . . . . . . . . . . 2.5 p -74.71 -44.27 50.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -66.06 -41.62 90.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 686' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -58.36 -36.52 73.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 687' ' ' ILE . . . . . 0.463 ' O ' HG23 ' A' ' 691' ' ' VAL . 46.8 mt -68.17 -37.53 78.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 688' ' ' HIS . . . . . 0.438 ' HA ' ' HB1' ' A' ' 718' ' ' ALA . 20.6 t-80 -62.78 -36.54 83.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 689' ' ' LEU . . . . . . . . . . . . . 5.6 mt -56.74 -50.38 72.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 690' ' ' ALA . . . . . 0.772 ' HB1' HG22 ' A' ' 661' ' ' VAL . . . -61.21 -36.45 79.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 691' ' ' VAL . . . . . 0.613 HG13 ' HG ' ' A' ' 714' ' ' LEU . 96.8 t -67.7 -51.37 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 692' ' ' THR . . . . . . . . . . . . . 97.5 m -66.78 -42.91 85.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 693' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -58.88 -39.03 80.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 694' ' ' MET . . . . . . . . . . . . . 1.3 ttm -65.31 -49.63 68.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 695' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.96 82.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 696' ' ' SER . . . . . . . . . . . . . 11.6 t -55.27 -35.93 65.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 697' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 697' ' ' LEU . 0.6 OUTLIER -64.95 -21.72 66.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.939 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 698' ' ' PHE . . . . . 0.644 ' CE2' HD22 ' A' ' 648' ' ' LEU . 46.9 m-85 -87.5 154.18 53.61 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.679 0.752 . . . . 0.0 110.854 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 699' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 149.18 66.45 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 700' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -20.93 31.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 701' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.05 88.72 30.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.62 0.724 . . . . 0.0 110.823 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 702' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 158.81 55.67 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.754 2.303 . . . . 0.0 112.315 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.696 ' HB2' ' HB2' ' A' ' 644' ' ' PRO . . . -109.84 11.24 24.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 704' ' ' LEU . . . . . 0.409 HD22 ' HG2' ' A' ' 706' ' ' PRO . 0.2 OUTLIER -105.83 136.17 45.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 705' ' ' GLU . . . . . 0.656 ' N ' ' HD2' ' A' ' 706' ' ' PRO . 0.8 OUTLIER -62.26 -51.4 74.24 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.63 0.728 . . . . 0.0 110.868 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 706' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 705' ' ' GLU . 53.9 Cg_endo -69.79 -28.2 25.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.351 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 707' ' ' VAL . . . . . 0.405 ' HB ' ' CB ' ' A' ' 704' ' ' LEU . 18.1 t -67.48 -36.01 75.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 708' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -46.44 78.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 709' ' ' SER . . . . . . . . . . . . . 14.9 m -75.36 -37.9 60.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 710' ' ' SER . . . . . . . . . . . . . 4.8 m -59.12 -35.0 72.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 711' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.61 -29.53 68.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 712' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -72.98 -48.58 35.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 714' ' ' LEU . 3.0 pp -72.13 -42.12 66.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 714' ' ' LEU . . . . . 0.613 ' HG ' HG13 ' A' ' 691' ' ' VAL . 21.1 tp -58.48 -51.1 71.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 715' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -65.13 -41.38 94.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.61 -33.77 76.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 717' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -46.87 87.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 718' ' ' ALA . . . . . 0.438 ' HB1' ' HA ' ' A' ' 688' ' ' HIS . . . -60.78 -43.41 98.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.138 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 719' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.22 -41.01 77.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 39.1 mtt85 -64.69 -42.98 94.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 721' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.22 -48.67 69.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -34.93 79.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 723' ' ' SER . . . . . . . . . . . . . 4.9 m -66.39 -37.82 86.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -68.96 -49.14 60.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 725' ' ' CYS . . . . . 0.444 ' O ' HG23 ' A' ' 728' ' ' THR . 40.4 m -62.85 -27.75 69.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.59 -36.88 62.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 727' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -96.04 53.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 728' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 725' ' ' CYS . 1.1 p -91.88 179.13 5.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 729' ' ' VAL . . . . . 0.893 ' C ' ' HD2' ' A' ' 731' ' ' PRO . 0.9 OUTLIER -117.71 67.37 5.63 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.63 0.729 . . . . 0.0 111.13 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 730' ' ' PRO . . . . . 0.932 ' N ' ' HD2' ' A' ' 731' ' ' PRO . 53.9 Cg_endo -69.71 -25.25 29.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 731' ' ' PRO . . . . . 0.932 ' HD2' ' N ' ' A' ' 730' ' ' PRO . 54.2 Cg_endo -69.78 -88.42 0.0 OUTLIER 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 732' ' ' GLU . . . . . 0.414 ' HB2' ' HD2' ' A' ' 733' ' ' PRO . 1.2 pt-20 -134.75 154.95 79.74 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.736 . . . . 0.0 110.888 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 732' ' ' GLU . 53.9 Cg_endo -69.8 -16.06 37.2 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.235 . . . . 0.0 112.352 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 734' ' ' GLY . . . . . . . . . . . . . . . -77.57 -11.73 85.19 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 735' ' ' ALA . . . . . 0.613 ' HB1' ' HD2' ' A' ' 736' ' ' PRO . . . -51.93 161.48 0.93 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.639 0.733 . . . . 0.0 111.061 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 736' ' ' PRO . . . . . 0.613 ' HD2' ' HB1' ' A' ' 735' ' ' ALA . 54.0 Cg_endo -69.71 -8.49 23.73 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.378 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 737' ' ' VAL . . . . . 0.515 ' HB ' HG22 ' A' ' 729' ' ' VAL . 98.6 t -87.86 112.78 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.46 101.78 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 739' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -61.83 -37.78 85.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 740' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -59.74 -51.03 71.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.03 -27.59 68.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.72 -47.32 84.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 743' ' ' THR . . . . . 0.785 HG23 ' HB1' ' A' ' 672' ' ' ALA . 27.0 m -57.95 -37.61 74.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 744' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -69.69 -34.88 74.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 745' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -70.4 -45.08 66.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 746' ' ' VAL . . . . . 0.735 HG11 ' CE2' ' A' ' 680' ' ' PHE . 22.1 m -66.73 -38.62 81.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 747' ' ' ILE . . . . . 0.553 ' CD1' HG22 ' A' ' 743' ' ' THR . 47.6 mt -63.68 -44.92 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 748' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -62.09 -46.65 88.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 749' ' ' CYS . . . . . . . . . . . . . 85.3 m -67.62 -42.19 82.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 750' ' ' ALA . . . . . 0.419 ' HB1' HD21 ' A' ' 669' ' ' LEU . . . -65.12 -42.29 94.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 751' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -67.43 -35.89 80.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 752' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -69.95 -48.5 58.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 753' ' ' ILE . . . . . 0.486 ' CD1' HD11 ' A' ' 665' ' ' ILE . 0.0 OUTLIER -66.19 -34.69 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 754' ' ' ALA . . . . . . . . . . . . . . . -67.6 -44.12 78.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 755' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.86 -32.01 65.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 756' ' ' ALA . . . . . . . . . . . . . . . -60.88 -29.03 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 757' ' ' ALA . . . . . . . . . . . . . . . -67.79 -30.9 70.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 758' ' ' LYS . . . . . 0.405 ' HA ' HG12 ' A' ' 761' ' ' VAL . 7.1 mtpt -58.82 -38.34 78.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 759' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -73.35 -29.36 62.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 760' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.47 -39.38 38.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 761' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 758' ' ' LYS . 10.0 p -71.38 -35.68 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 762' ' ' THR . . . . . . . . . . . . . 15.1 t -72.21 -34.8 68.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 763' ' ' ILE . . . . . . . . . . . . . 5.0 mm -66.77 -40.54 86.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 764' ' ' THR . . . . . 0.666 HG21 HG11 ' A' ' 654' ' ' VAL . 74.2 p -69.01 -41.59 77.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 765' ' ' THR . . . . . . . . . . . . . 91.5 m -65.38 -49.01 70.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 766' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -65.45 -32.65 74.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 767' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -58.78 153.44 16.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 768' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.23 32.93 2.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 769' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.6 -172.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 770' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.871 179.922 . . . . . . . . 0 0 . 1 stop_ save_