data_2ke3_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 2ke3 _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 ' 739' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.835 0.35 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -48.01 69.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.42 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 1.9 pp -58.69 -34.69 71.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.992 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 3.7 mt -65.4 -31.8 73.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.316 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -63.66 -44.12 94.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.637 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.24 -48.16 58.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.03 -45.8 90.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.398 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 37.2 mmm -70.61 -28.39 64.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.81 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.784 179.888 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.878 0.37 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -33.54 72.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 93.5 mt -61.88 -40.43 95.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.55 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 86.7 mt -57.01 -36.41 70.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.578 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . 0.407 ' O ' ' HG3' ' A' ' 746' ' ' MET . 0.2 OUTLIER -60.11 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.595 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.77 -48.08 56.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 7.9 mt -55.71 -49.51 72.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.762 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 746' ' ' MET . . . . . 0.407 ' HG3' ' O ' ' A' ' 743' ' ' GLN . 4.9 ppp? -68.64 -38.06 80.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.856 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.916 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.824 0.345 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -32.04 69.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.94 -40.36 97.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.677 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.08 -34.72 72.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.528 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -46.48 88.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.624 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.27 -48.11 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.5 -44.62 96.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.601 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.2 mmm -69.57 -27.6 65.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.94 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 23.9 t0 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.969 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.876 0.37 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -35.11 73.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.48 -42.44 92.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.757 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 13.9 mt -57.46 -35.45 70.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -61.76 -46.49 89.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.715 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.23 -48.09 58.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.92 -48.04 83.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 11.0 mtp -68.83 -29.02 67.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.838 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 -60.21 -32.95 71.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 7.5 mt -61.03 -42.17 97.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.745 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.44 -35.98 70.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.643 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -47.1 85.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.73 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.24 -48.16 58.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.93 -44.92 96.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.571 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 6.2 mmt -68.69 -30.36 69.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 8.1 t0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.824 0.345 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -60.13 -33.2 71.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.86 -40.31 94.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.7 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.91 -36.3 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.566 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -47.39 86.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.694 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.42 -48.18 57.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.9 mt -60.63 -43.87 97.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.514 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 60.4 mtp -65.96 -30.04 70.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.837 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 41.4 t0 . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.766 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 N--CA 1.46 0.065 0 CA-C-O 120.834 0.35 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -32.56 71.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.761 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 9.8 tp -62.15 -39.95 94.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.722 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.5 -36.55 73.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.549 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -45.78 93.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.611 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.21 -48.16 58.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.75 -46.99 88.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.542 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 7.2 mtp -70.53 -29.74 66.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.799 0.333 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -69.3 -36.33 76.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.65 -39.71 89.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.65 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.49 -36.27 73.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.645 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -46.94 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.687 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.21 -48.15 58.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.28 -44.57 97.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.9 mmt -69.0 -29.9 68.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.816 0.341 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -61.74 -34.02 75.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.806 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.27 -39.68 91.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.679 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.33 -36.34 73.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.617 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.49 -46.72 88.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.697 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.44 -48.06 57.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.42 -44.14 97.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.515 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 47.3 mmm -67.95 -27.64 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.946 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.828 0.347 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -60.26 -36.67 78.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.96 -41.88 88.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 87.8 mt -56.93 -34.12 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.482 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -59.94 -47.52 85.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.528 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.68 -48.12 56.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.989 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.86 -49.49 75.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.595 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -69.12 -37.26 78.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.722 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.95 179.935 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 20.7 t0 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.792 0.329 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -39.06 93.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.71 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 17.7 tp -60.34 -35.87 76.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.9 -33.7 72.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.497 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -46.83 88.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.657 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.28 -48.1 58.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 5.4 mt -59.66 -47.54 85.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.549 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.4 mtm -66.99 -29.78 69.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.726 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 45.5 t0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.852 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.745 0.307 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -60.1 -40.34 89.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.26 -38.86 77.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.67 -32.35 69.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.514 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -62.17 -48.39 80.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.675 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.62 -48.07 56.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.157 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.22 -49.37 76.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.619 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -36.09 76.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.702 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.894 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.0 t0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.34 -33.09 73.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 10.6 mp -61.07 -42.11 97.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.4 mp -56.88 -36.36 70.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.666 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -47.79 84.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.52 -48.07 57.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.94 -47.21 83.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.539 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -67.79 -38.58 83.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.694 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.794 0.33 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -60.86 -31.17 70.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -40.49 97.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.2 mp -58.19 -35.42 71.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.599 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.09 -46.69 89.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.1 58.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.035 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.19 -46.63 89.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.54 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 81.0 mtp -68.16 -28.81 67.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 35.3 t70 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.967 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -38.42 83.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.14 -38.74 80.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.68 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.92 -33.98 71.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.573 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -62.06 -47.6 83.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.752 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.05 58.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.77 -44.93 96.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.606 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 25.2 mmm -69.32 -29.83 67.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 12.6 t70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.92 0.391 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -60.27 -33.02 71.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.66 -42.79 97.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.822 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 13.8 mt -57.2 -35.67 69.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.691 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.91 -47.39 83.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.642 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.21 -48.1 58.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.6 mt -60.58 -45.4 94.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.683 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -30.58 69.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 8.5 t0 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.888 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.746 0.308 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -34.84 70.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.56 -40.76 92.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.657 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.04 -36.42 72.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.675 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -46.46 89.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.617 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.32 -48.09 58.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.4 mt -61.75 -44.5 96.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.649 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 53.9 mtp -71.31 -29.29 64.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.861 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.926 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.796 0.331 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -60.39 -34.5 73.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.87 -39.87 90.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.74 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 54.3 mt -58.55 -36.06 73.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.655 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -46.33 89.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.705 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.19 -48.24 58.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.4 mt -61.72 -44.61 96.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.593 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 7.9 mtt -71.14 -29.95 65.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.846 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 8.8 tpp85 -59.47 -34.26 72.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.14 -42.61 95.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.767 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 10.0 mp -57.6 -34.05 68.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.607 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -63.08 -47.28 83.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.64 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.12 58.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.43 -45.66 92.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.608 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 14.0 mtt -68.85 -28.64 66.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.975 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.807 0.336 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -60.37 -34.06 73.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.778 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 23.9 mt -61.42 -39.99 92.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.649 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.99 -36.22 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.684 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -46.56 90.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.593 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.52 -48.11 57.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.016 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.47 -46.53 88.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.459 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -67.43 -37.26 82.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.666 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.95 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.767 0.317 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -133.33 -46.68 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 10.6 mt 60.21 39.86 18.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -146.07 -177.26 5.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -97.26 42.04 2.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 2.9 t -103.96 -171.3 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -159.34 148.59 18.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 60.45 166.97 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 4.5 t -114.69 97.88 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.02 37.13 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -161.76 -41.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 26.8 m -55.46 -25.13 34.81 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.162 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -65.29 -57.54 8.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.965 0.412 . . . . 0.0 110.723 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.11 -31.54 71.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.668 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 72.2 t -78.13 -31.05 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.062 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.72 -26.91 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.63 -38.49 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -88.31 -33.3 18.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -62.18 -46.48 88.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -60.24 145.05 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 4.4 t -166.29 33.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -148.2 77.28 9.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.15 116.96 4.84 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.536 2.157 . . . . 0.0 112.276 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -174.33 36.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -128.21 117.11 20.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -81.3 161.92 23.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -156.45 144.3 19.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -80.52 -36.67 32.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -66.05 -26.79 67.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -48.01 69.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.42 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 1.9 pp -58.69 -34.69 71.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.992 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 3.7 mt -65.4 -31.8 73.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.316 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -63.66 -44.12 94.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.637 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.24 -48.16 58.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.03 -45.8 90.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.398 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 37.2 mmm -70.61 -28.39 64.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.81 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -60.97 -34.7 75.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.784 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 5.4 mt -61.79 -51.16 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.72 -31.53 71.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.83 -31.02 69.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.28 -33.89 72.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.93 83.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.853 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.806 0.336 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -150.98 31.92 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 45.5 mt -132.02 147.03 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -132.25 161.24 33.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -136.98 103.17 0.42 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.548 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.8 -179.67 5.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.77 0.319 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -104.29 -178.51 3.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -144.32 161.66 38.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 4.1 m 60.56 81.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -176.61 -67.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -130.79 32.73 4.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 59.5 m -55.77 -27.11 49.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -63.75 -56.45 15.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.975 0.417 . . . . 0.0 110.711 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.24 -31.39 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.722 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 72.5 t -77.21 -34.01 20.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -77.58 -27.0 51.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.287 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 25.1 t -90.71 -38.24 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.592 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -96.69 -45.76 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.254 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -95.44 45.56 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -175.55 36.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.76 84.8 1.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -121.87 54.56 5.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -70.05 168.08 22.96 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.492 2.128 . . . . 0.0 112.269 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -106.37 35.71 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.14 158.8 43.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -106.64 86.0 2.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -150.73 -65.72 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.49 -30.23 69.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -59.44 -45.08 92.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -33.54 72.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 93.5 mt -61.88 -40.43 95.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.55 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 86.7 mt -57.01 -36.41 70.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.578 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . 0.407 ' O ' ' HG3' ' A' ' 746' ' ' MET . 0.2 OUTLIER -60.11 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.595 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.77 -48.08 56.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 7.9 mt -55.71 -49.51 72.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.762 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 746' ' ' MET . . . . . 0.407 ' HG3' ' O ' ' A' ' 743' ' ' GLN . 4.9 ppp? -68.64 -38.06 80.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.856 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.73 -45.5 89.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 4.7 mt -62.07 -42.78 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.094 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 2.9 mp -61.67 -33.54 74.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.04 -35.35 74.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -60.42 -31.33 70.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 60.82 92.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.889 179.882 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.872 0.368 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.72 -31.66 10.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 6.2 mt 60.69 177.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -132.86 -64.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 94.75 -52.91 1.98 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.439 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.65 -71.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.758 0.313 . . . . 0.0 110.99 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -86.64 -22.08 26.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.256 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -171.67 146.8 2.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.3 34.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.51 -59.62 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -106.96 71.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 43.5 m -56.02 -25.0 42.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.76 -57.41 9.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.93 0.395 . . . . 0.0 110.76 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.34 -31.41 70.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.612 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 75.3 t -77.85 -31.7 17.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.037 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.61 -27.03 65.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.853 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 28.0 t -60.69 -29.23 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -80.18 -30.31 38.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -67.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 2.4 m120 59.7 104.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.951 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.14 -67.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -149.05 147.99 25.61 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.4 -45.54 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.475 2.117 . . . . 0.0 112.293 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -104.17 -30.3 10.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.965 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.59 31.52 16.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -176.54 121.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 60.39 31.21 20.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -72.3 -31.5 65.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.62 -29.96 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -32.04 69.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.94 -40.36 97.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.677 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.08 -34.72 72.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.528 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -46.48 88.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.624 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.27 -48.11 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.5 -44.62 96.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.601 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.2 mmm -69.57 -27.6 65.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.94 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -61.53 -36.25 80.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 42.0 mt -63.69 -51.74 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 4.1 pp -74.45 -34.93 63.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -94.92 41.26 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.44 -30.98 68.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 60.82 39.87 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 8.9 m120 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.916 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.823 0.344 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -144.55 32.04 1.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 5.3 mt -106.51 151.33 25.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -143.52 31.2 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -109.46 -146.61 11.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 40.7 t -106.95 162.39 13.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -99.06 117.52 33.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -104.37 164.73 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.1 t -174.94 36.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.78 -31.43 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -126.96 78.64 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 5.9 m -56.51 -22.99 36.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.91 -58.85 5.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.876 0.37 . . . . 0.0 110.657 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -31.38 70.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.575 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 74.8 t -75.75 -32.27 23.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.89 -26.9 68.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 30.7 t -59.01 -28.72 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -81.18 -31.04 34.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.807 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -62.76 -43.84 97.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 60.74 36.44 19.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 1.5 p -147.75 157.6 43.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp 60.62 87.42 0.13 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.15 141.28 48.92 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.562 2.175 . . . . 0.0 112.281 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -73.88 -43.19 59.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -129.6 -178.3 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -93.25 115.09 27.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -107.49 -59.53 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.97 -48.53 81.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.2 -30.41 69.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -35.11 73.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.48 -42.44 92.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.757 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 13.9 mt -57.46 -35.45 70.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -61.76 -46.49 89.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.715 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.23 -48.09 58.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.3 mt -59.92 -48.04 83.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 11.0 mtp -68.83 -29.02 67.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.58 -34.29 73.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.838 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.13 -51.23 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.75 -33.38 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -60.41 -31.22 70.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.05 -55.77 29.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -86.62 53.09 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 60.5 t30 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.935 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.819 0.342 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -49.86 58.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 6.4 mt -129.52 172.1 11.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -82.6 -42.28 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 60.46 166.28 0.26 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 35.2 t -92.79 -50.85 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.328 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 60.16 36.22 21.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -105.88 111.63 24.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.9 m -128.28 135.47 49.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -107.06 -75.62 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.75 -21.24 12.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 17.4 t -55.54 -27.07 46.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -61.74 -56.31 20.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.733 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.27 -31.47 70.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.68 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 73.7 t -76.36 -31.32 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.064 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -58.63 -26.8 64.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.3 t -72.22 -29.39 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -85.98 -28.3 24.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.87 34.61 1.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -177.35 -176.34 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.793 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.29 97.95 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.403 ' O ' ' CE2' ' A' ' 734' ' ' TYR . 6.1 mmtt -108.2 115.74 57.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.23 -12.63 34.36 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.387 2.058 . . . . 0.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . 0.403 ' CE2' ' O ' ' A' ' 732' ' ' LYS . 25.5 m-85 69.22 -68.21 0.19 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.836 0.35 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt 59.56 160.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 59.73 -169.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -91.42 90.38 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -64.82 -35.88 82.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.04 -50.27 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 -60.21 -32.95 71.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 7.5 mt -61.03 -42.17 97.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.745 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.44 -35.98 70.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.643 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -47.1 85.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.73 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.24 -48.16 58.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.93 -44.92 96.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.571 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 6.2 mmt -68.69 -30.36 69.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.54 -48.04 82.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 4.3 mt -61.44 -43.88 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 9.7 mp -61.75 -34.65 76.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -60.44 -53.47 57.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -60.21 -50.55 73.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -86.59 53.05 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 17.6 t30 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.883 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.839 0.352 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.84 85.16 1.68 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 90.2 mt -79.64 136.12 36.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 60.58 110.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -137.53 84.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 69.3 m -134.25 82.55 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -96.71 168.62 10.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -103.47 101.99 11.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 87.5 p -151.7 36.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.91 -60.68 1.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -109.2 -20.59 12.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.247 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -27.84 46.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -62.02 -56.37 19.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.683 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.09 -31.5 71.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.616 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 76.4 t -76.28 -32.16 21.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.86 -27.16 66.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.817 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.88 -24.79 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.253 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -85.46 -29.3 24.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -98.27 29.84 3.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.009 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -63.75 -66.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.23 -176.22 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -110.05 96.59 26.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.16 -175.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.49 2.126 . . . . 0.0 112.385 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 68.62 -69.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 14.0 tttp 62.65 121.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -78.91 -178.05 5.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -128.2 114.91 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -80.46 -29.62 37.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -58.57 -31.17 67.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -60.13 -33.2 71.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.86 -40.31 94.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.7 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.91 -36.3 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.566 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -47.39 86.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.694 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.42 -48.18 57.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.9 mt -60.63 -43.87 97.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.514 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 60.4 mtp -65.96 -30.04 70.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.837 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -67.34 -45.54 76.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 41.9 mt -65.66 -51.65 60.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.389 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.43 -39.45 94.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 110.818 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -73.04 -33.52 65.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.659 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 51.96 86.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -175.73 39.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 6.4 m120 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.133 -0.937 . . . . 0.0 110.924 179.903 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.821 0.343 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -158.14 151.08 22.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 16.1 mt -151.15 139.78 20.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 60.63 100.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 91.16 111.7 1.67 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.551 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 7.1 m -138.47 109.02 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.755 0.312 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 60.72 34.91 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -124.72 149.25 47.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 16.4 t 60.13 83.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.73 -47.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -143.5 -42.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 10.1 m -53.38 -25.36 15.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.103 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.46 -59.36 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.781 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.28 -31.43 70.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.642 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 74.7 t -77.48 -30.23 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.013 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.19 -26.84 61.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.858 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 20.7 t -58.94 -30.16 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -78.07 -23.43 48.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.21 -23.6 22.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.272 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -166.35 -174.8 3.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 27.8 m 61.94 31.48 18.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.81 144.21 2.28 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.815 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.39 132.41 22.27 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.544 2.163 . . . . 0.0 112.24 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -120.51 -43.17 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -98.1 36.33 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -119.5 -64.28 1.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 60.7 93.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.27 -33.92 43.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.1 -53.75 54.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -32.56 71.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.761 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 9.8 tp -62.15 -39.95 94.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.722 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 2.5 mp -58.5 -36.55 73.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.549 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -45.78 93.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.611 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.21 -48.16 58.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.75 -46.99 88.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.542 179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 7.2 mtp -70.53 -29.74 66.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.85 -39.2 91.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 4.2 mt -61.09 -47.57 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.81 -38.75 89.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -61.07 -26.27 67.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -56.92 -32.45 65.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.058 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -176.86 83.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.887 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.77 0.319 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.53 32.28 4.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.996 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 91.0 mt -149.2 -178.17 6.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -128.99 151.14 50.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -136.33 66.79 0.55 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.8 t -97.47 178.72 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.735 0.303 . . . . 0.0 111.032 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -134.09 176.8 8.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 26.3 p30 -98.97 31.56 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 14.7 m -146.98 161.47 40.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -112.7 -51.23 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -80.08 -22.02 42.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.188 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 4.2 t -56.73 -24.92 53.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -64.13 -57.05 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.342 . . . . 0.0 110.695 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.24 -31.49 71.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.607 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 76.0 t -77.32 -32.49 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.056 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.11 -26.85 69.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.815 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 28.4 t -70.28 -30.8 44.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -91.92 -31.68 15.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -125.46 46.09 2.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -60.26 114.75 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.26 99.83 12.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt 63.14 145.11 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.45 115.19 4.19 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.558 2.172 . . . . 0.0 112.312 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -100.5 31.25 3.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.69 37.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -176.94 82.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -71.69 -37.98 70.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.008 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -59.86 -30.69 69.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.06 -53.83 53.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -69.3 -36.33 76.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.65 -39.71 89.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.65 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.49 -36.27 73.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.645 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -46.94 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.687 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.21 -48.15 58.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.28 -44.57 97.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.9 mmt -69.0 -29.9 68.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -61.08 -41.31 96.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 38.4 mm -62.86 -38.62 82.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.64 -36.51 80.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -67.7 -55.76 11.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 57.11 30.92 19.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -172.98 39.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 6.7 t30 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.915 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.89 0.376 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.28 135.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.08 -178.88 4.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -80.54 -31.52 36.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -59.84 104.25 0.55 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 2.2 m -108.81 -38.18 5.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 61.4 154.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.822 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -66.39 -179.81 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.09 112.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.15 27.56 4.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -111.87 -21.99 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 54.2 p -57.26 -25.62 59.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.078 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.33 -56.78 15.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.666 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.25 -31.41 70.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.74 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 77.7 t -76.65 -33.0 21.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.211 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -69.03 -27.1 65.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.71 -44.01 92.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -89.83 -31.35 17.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -95.76 45.75 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -175.66 107.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 1.6 t -154.61 94.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . 0.405 ' HB3' ' CD1' ' A' ' 734' ' ' TYR . 0.1 OUTLIER -114.81 87.33 14.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.51 -45.68 38.32 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.609 2.206 . . . . 0.0 112.24 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . 0.405 ' CD1' ' HB3' ' A' ' 732' ' ' LYS . 3.0 m-85 64.3 -78.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.974 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -150.09 145.59 26.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -63.06 -174.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.42 47.48 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.798 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.63 -30.51 36.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.4 -40.78 87.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -61.74 -34.02 75.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.806 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.27 -39.68 91.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.679 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.33 -36.34 73.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.617 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.49 -46.72 88.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.697 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.44 -48.06 57.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.42 -44.14 97.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.515 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 47.3 mmm -67.95 -27.64 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -58.67 -34.38 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 5.5 mt -61.1 -45.61 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.045 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.56 -39.39 90.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.733 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -72.03 -47.54 51.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.839 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 61.09 92.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 61.56 76.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.96 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.882 0.373 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -83.08 -49.47 9.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 7.3 mt -106.02 91.95 3.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.25 -51.62 11.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 143.81 -128.6 3.38 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.53 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.9 m -104.28 -52.36 2.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.51 -177.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -138.35 148.05 44.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 2.3 m -79.12 -177.19 5.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.21 -56.49 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -146.48 31.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 44.2 m -56.55 -24.61 48.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.03 -57.25 9.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.71 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -31.41 70.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.617 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 76.9 t -78.03 -31.6 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.32 -26.92 65.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.872 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.93 -30.37 23.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -86.75 -31.44 20.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -92.98 48.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -175.88 -41.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 32.7 m -108.19 83.47 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.1 148.63 13.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.26 -168.82 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.674 2.25 . . . . 0.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -149.51 31.7 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -83.79 -29.94 26.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 1.5 t60 62.55 114.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.98 37.29 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.47 -39.58 77.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.0 -40.01 95.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -60.26 -36.67 78.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.96 -41.88 88.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 87.8 mt -56.93 -34.12 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.482 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -59.94 -47.52 85.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.528 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.68 -48.12 56.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.989 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.86 -49.49 75.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.595 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -69.12 -37.26 78.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.722 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.24 -43.53 78.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 4.6 mt -60.57 -51.53 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.023 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 10.8 tp -64.77 -37.49 87.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -96.63 32.04 2.15 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -58.11 -31.13 66.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -176.69 79.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.166 -0.921 . . . . 0.0 110.889 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.742 0.306 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -62.86 111.63 2.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 14.2 mt -84.28 160.55 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -154.66 163.0 40.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 103.14 -82.07 0.38 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.421 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.43 122.34 6.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.739 0.304 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.13 31.57 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -106.77 -21.69 12.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 86.4 p -176.71 37.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.799 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.75 -46.94 6.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -98.92 29.81 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 46.8 p -56.95 -26.94 60.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -62.63 -56.36 18.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.652 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -31.34 70.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.76 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 71.8 t -76.78 -33.69 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.86 -27.69 68.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 28.5 t -63.09 -30.71 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -87.29 -31.5 20.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -98.77 30.23 3.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -62.16 -175.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 1.8 p -106.3 90.27 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -58.44 109.88 2.17 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.09 -26.9 34.52 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.321 2.014 . . . . 0.0 112.363 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -59.3 98.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -90.66 -177.12 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -98.19 119.95 37.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.26 142.35 31.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -75.21 -43.46 51.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -57.75 -51.7 68.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -39.06 93.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.71 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 17.7 tp -60.34 -35.87 76.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.9 -33.7 72.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.497 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -46.83 88.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.657 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.28 -48.1 58.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 5.4 mt -59.66 -47.54 85.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.549 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.4 mtm -66.99 -29.78 69.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.726 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -61.49 -47.15 86.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 41.0 mm -62.3 -48.06 90.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -39.81 92.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.799 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -71.87 -42.04 67.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 60.36 91.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.01 39.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.939 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.755 0.312 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -152.61 80.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 14.7 mt -152.9 101.96 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -141.21 132.72 26.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -156.01 122.97 1.26 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 70.3 m -140.73 144.67 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -104.6 108.72 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -160.12 124.72 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.86 85.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.92 -61.19 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -154.37 88.83 1.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 20.5 m -55.92 -26.0 45.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.23 -57.24 12.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.994 0.426 . . . . 0.0 110.752 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.13 -31.57 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.715 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 72.8 t -76.43 -32.68 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -68.96 -26.99 65.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.86 -30.73 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.206 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -87.85 -33.85 18.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.779 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -111.62 38.51 2.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -59.63 143.47 50.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 4.3 m 60.77 109.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -128.88 87.15 55.47 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.32 138.33 55.61 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.559 2.172 . . . . 0.0 112.322 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -167.89 -43.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.29 126.16 26.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -130.32 -47.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -75.44 95.9 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -60.13 -31.33 69.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.21 -50.47 73.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -60.1 -40.34 89.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.26 -38.86 77.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.67 -32.35 69.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.514 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -62.17 -48.39 80.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.675 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.62 -48.07 56.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.157 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 5.9 mt -57.22 -49.37 76.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.619 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -36.09 76.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.702 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.75 -39.72 71.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 4.8 mt -60.42 -51.47 72.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.72 -39.93 93.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -61.18 -35.26 76.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.18 -49.21 78.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -86.74 53.15 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.998 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.849 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.828 0.347 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.09 109.68 21.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 48.7 mt -106.54 89.59 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.59 -40.17 5.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -154.09 -85.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.521 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 57.8 m 62.93 -79.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.658 0.266 . . . . 0.0 111.016 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -68.7 91.71 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -126.33 59.06 1.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 11.6 p 59.31 109.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.81 -73.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -119.94 30.67 6.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 12.1 t -57.15 -25.05 58.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.83 -57.01 13.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.752 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -31.44 70.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.689 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 72.2 t -76.32 -32.59 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -67.41 -27.04 66.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 30.7 t -59.41 -30.31 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.105 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -81.92 -31.25 31.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -64.3 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 2.3 t30 60.32 -169.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.71 114.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt 60.98 75.18 0.47 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.75 -168.04 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.64 2.227 . . . . 0.0 112.344 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -135.34 29.41 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 21.1 mttt 58.46 30.99 20.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -142.95 127.7 18.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -154.13 80.83 1.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -60.21 -31.21 69.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -59.93 -48.6 81.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.34 -33.09 73.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 10.6 mp -61.07 -42.11 97.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.4 mp -56.88 -36.36 70.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.666 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -47.79 84.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.52 -48.07 57.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.94 -47.21 83.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.539 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -67.79 -38.58 83.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.694 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -60.02 -46.19 90.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 4.9 mt -61.9 -49.82 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.74 -38.71 88.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -60.12 -36.24 77.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -60.43 -42.16 95.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 60.62 89.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.946 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.847 0.356 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -139.84 32.02 2.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 15.8 mt -153.31 157.71 40.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -86.76 107.71 18.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -61.22 -36.51 92.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 70.7 m 60.35 166.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.94 87.98 6.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -120.37 31.92 6.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 4.9 p -106.02 31.56 5.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.82 43.19 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . 0.501 ' CE2' ' CG ' ' A' ' 724' ' ' TYR . 0.7 OUTLIER 49.76 27.88 2.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.253 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 2.4 m -58.53 -24.76 61.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.067 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.0 -56.4 17.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 110.725 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . 0.501 ' CG ' ' CE2' ' A' ' 721' ' ' TYR . 0.6 OUTLIER -68.3 -31.2 70.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.711 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 78.8 t -77.72 -32.27 17.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -76.09 -26.78 56.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.223 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 25.9 t -83.24 -25.23 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.386 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -101.72 -31.39 10.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.064 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -98.36 31.24 2.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -69.91 66.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.14 116.31 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -157.38 89.19 2.5 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.823 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.24 147.65 72.89 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.518 2.145 . . . . 0.0 112.26 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 3.6 t80 60.21 68.88 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.791 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -163.51 -43.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 1.1 m80 65.78 -76.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 61.48 40.56 13.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.02 -36.54 48.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -60.02 -50.18 74.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -60.86 -31.17 70.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -40.49 97.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.2 mp -58.19 -35.42 71.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.599 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.09 -46.69 89.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.1 58.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.035 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.7 mt -60.19 -46.63 89.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.54 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 81.0 mtp -68.16 -28.81 67.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -59.69 -34.25 72.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.967 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 39.7 mt -62.96 -48.05 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.73 -39.37 91.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -61.8 -56.84 15.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -61.42 -31.42 71.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.972 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 60.74 82.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 15.9 m120 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.901 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.847 0.356 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.68 36.42 2.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 7.5 mt 60.29 47.24 9.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 61.17 159.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -96.82 -63.69 0.92 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 5.2 m 60.68 162.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.24 97.59 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.97 167.08 10.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.7 m -86.35 94.37 9.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.77 79.52 1.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 724' ' ' TYR . 0.2 OUTLIER 48.71 51.89 14.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.279 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 2.9 m -57.43 -23.26 48.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -58.22 -57.68 11.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . 0.424 ' HB3' ' CD2' ' A' ' 721' ' ' TYR . 0.4 OUTLIER -68.25 -31.52 71.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.702 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 93.5 t -74.53 -30.45 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.116 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -58.39 -26.96 63.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 27.8 t -62.65 -38.58 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -88.5 -31.62 18.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.6 -31.49 72.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -176.18 112.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 17.7 p -62.04 160.97 11.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.57 158.8 33.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.22 176.97 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.599 2.199 . . . . 0.0 112.293 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -152.26 -66.14 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -113.4 -37.14 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.14 104.22 16.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -131.03 -66.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -66.6 -31.2 71.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.2 -41.97 94.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -38.42 83.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.14 -38.74 80.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.68 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.92 -33.98 71.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.573 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -62.06 -47.6 83.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.752 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.05 58.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.77 -44.93 96.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.606 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 25.2 mmm -69.32 -29.83 67.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -60.55 -44.28 96.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 4.4 mt -61.66 -50.06 81.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 7.6 mt -61.73 -38.94 89.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -56.46 21.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.45 -32.79 71.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 60.44 90.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.946 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.886 0.374 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 2.2 tttp 60.52 93.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 24.7 mt -101.72 107.51 18.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -154.41 117.7 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 173.79 -175.74 46.37 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.08 32.13 20.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -147.14 79.42 1.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.05 149.39 35.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 10.1 t -150.76 34.67 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.63 -58.1 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -131.16 70.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.46 -25.12 49.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.0 -57.33 8.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.718 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . 0.404 ' CZ ' ' CE1' ' A' ' 728' ' ' PHE . 0.7 OUTLIER -68.2 -31.41 70.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.702 179.783 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.08 -31.55 16.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.037 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.07 -26.98 65.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.72 -27.93 32.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . 0.404 ' CE1' ' CZ ' ' A' ' 724' ' ' TYR . 48.6 m-85 -78.35 -27.73 47.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -57.77 -33.51 68.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 60.04 -169.78 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 65.6 m -82.15 -52.47 6.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -141.51 156.09 66.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.08 -24.65 27.97 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.503 2.135 . . . . 0.0 112.349 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 65.25 -77.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -148.83 31.72 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 3.8 m80 60.17 91.97 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 -99.69 36.12 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -66.45 -46.16 77.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.88 -50.1 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -60.27 -33.02 71.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.66 -42.79 97.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.822 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 13.8 mt -57.2 -35.67 69.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.691 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.91 -47.39 83.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.642 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.21 -48.1 58.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.6 mt -60.58 -45.4 94.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.683 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -30.58 69.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -62.09 -48.71 78.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.56 -43.04 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.8 -36.2 80.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -60.24 -54.83 41.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -60.82 -59.55 5.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 60.52 81.72 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.924 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.875 0.369 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -80.88 103.45 10.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 14.6 mt -150.31 -177.76 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.17 -65.9 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 96.28 -28.63 12.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 47.9 t -59.99 105.14 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -130.97 125.28 32.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 14.4 t0 61.21 86.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 22.3 t 60.67 157.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -133.02 -65.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . 0.418 ' CD2' ' HB3' ' A' ' 724' ' ' TYR . 0.8 OUTLIER -126.02 27.25 6.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.014 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -23.95 62.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -62.17 -57.1 12.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.899 0.38 . . . . 0.0 110.82 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . 0.418 ' HB3' ' CD2' ' A' ' 721' ' ' TYR . 0.5 OUTLIER -68.21 -31.47 71.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.681 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 76.7 t -76.65 -33.05 21.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.069 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.98 -27.43 65.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.48 -30.76 45.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -87.3 -31.76 20.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -111.84 35.43 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -59.72 168.53 1.67 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.34 163.55 32.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.63 81.57 13.31 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.985 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.68 -61.43 0.53 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.497 2.131 . . . . 0.0 112.355 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -139.48 34.89 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -130.78 170.12 14.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -166.05 -179.71 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -135.51 39.03 2.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -59.48 -33.7 71.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.97 -36.93 78.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -34.84 70.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.56 -40.76 92.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.657 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 15.4 mt -58.04 -36.42 72.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.675 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -46.46 89.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.617 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.32 -48.09 58.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.4 mt -61.75 -44.5 96.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.649 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 53.9 mtp -71.31 -29.29 64.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.861 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.24 -34.9 74.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 39.9 mt -63.54 -47.56 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -39.39 91.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -60.87 -56.95 15.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.83 -33.41 74.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.815 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 59.87 49.04 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.961 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 56.8 p . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.89 0.376 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.67 174.58 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 17.5 mt -74.01 145.59 44.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 68.6 -67.87 0.19 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 94.32 169.98 37.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.393 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 11.8 t -77.44 -42.92 34.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -149.41 35.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.03 150.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 3.5 m -74.74 147.67 41.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.22 -43.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.37 43.71 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.49 -26.8 33.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.95 -57.36 12.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.347 . . . . 0.0 110.705 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -31.38 70.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.738 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 75.8 t -75.8 -31.23 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -58.85 -26.99 64.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.4 t -60.52 -26.78 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.205 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -75.8 -23.28 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.137 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -55.11 -29.39 57.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.038 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -176.06 118.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -162.49 -70.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -58.83 109.64 2.03 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.45 -41.17 3.59 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.424 2.083 . . . . 0.0 112.358 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -81.04 97.93 7.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.04 176.53 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -60.47 -37.35 80.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -117.41 91.11 3.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -66.98 -34.11 77.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -65.55 -46.24 80.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -60.39 -34.5 73.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.87 -39.87 90.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.74 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 54.3 mt -58.55 -36.06 73.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.655 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -46.33 89.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.705 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.19 -48.24 58.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.4 mt -61.72 -44.61 96.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.593 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 7.9 mtt -71.14 -29.95 65.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.38 -42.56 98.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 4.6 mt -61.32 -46.19 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -31.14 71.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -60.22 -31.02 69.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -86.43 52.88 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.061 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -177.32 80.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.884 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 29.7 m . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.89 0.376 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.17 -33.66 7.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 24.1 mt -107.75 150.24 27.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -106.18 102.82 12.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 166.6 -123.82 1.17 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 10.8 t -176.42 109.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.807 0.337 . . . . 0.0 110.998 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.32 -174.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -134.64 79.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.34 121.36 44.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.76 -67.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -110.56 -22.5 11.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -27.84 53.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.062 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -62.1 -55.99 23.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.676 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -31.42 70.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.688 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 79.5 t -76.61 -31.91 20.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.025 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.14 -26.95 65.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.53 -30.49 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.191 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -90.77 -31.09 16.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -138.31 77.06 1.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -60.61 -31.6 70.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 2.7 t -119.78 107.4 13.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -166.49 68.52 1.05 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.984 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -56.04 85.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.6 2.2 . . . . 0.0 112.353 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 56.17 28.52 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 3.8 tttp 58.47 33.6 23.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.004 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.48 86.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -174.74 101.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.82 -35.56 77.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.983 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -60.3 -30.67 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 8.8 tpp85 -59.47 -34.26 72.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.14 -42.61 95.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.767 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 10.0 mp -57.6 -34.05 68.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.607 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -63.08 -47.28 83.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.64 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.12 58.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.43 -45.66 92.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.608 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 14.0 mtt -68.85 -28.64 66.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.39 -41.25 98.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.1 mm -64.28 -51.6 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.43 -31.41 70.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.71 -30.17 71.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -160.25 88.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -86.08 52.94 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 5.2 t30 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.875 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.879 0.371 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -142.41 119.55 11.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 14.9 mt -105.65 132.01 52.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -95.64 -48.91 5.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -85.58 152.23 26.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 77.9 p -106.19 127.04 52.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -166.71 156.18 11.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.45 39.43 18.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 20.3 m 60.94 87.62 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.26 31.12 3.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 721' ' ' TYR . . . . . 0.401 ' CD2' HG23 ' A' ' 725' ' ' VAL . 4.4 t80 -105.86 -25.96 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.999 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 1.5 m -60.26 -22.71 63.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.78 -58.0 8.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.821 0.344 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -31.5 71.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.68 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 725' ' ' VAL . . . . . 0.401 HG23 ' CD2' ' A' ' 721' ' ' TYR . 73.4 t -77.83 -32.06 17.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.47 -26.96 65.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.12 -31.02 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -89.81 -29.8 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -93.79 46.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -176.87 95.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 19.9 p -69.24 178.9 2.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -161.16 79.42 2.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.66 63.39 1.73 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.608 2.206 . . . . 0.0 112.267 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -126.34 -47.93 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 14.9 mttt 60.49 84.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.3 157.7 13.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -98.6 29.72 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -80.52 -34.64 35.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.26 -42.21 93.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -60.37 -34.06 73.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.778 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 23.9 mt -61.42 -39.99 92.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.649 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.99 -36.22 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.684 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -46.56 90.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.593 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.52 -48.11 57.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.016 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.47 -46.53 88.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.459 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -67.43 -37.26 82.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.666 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -56.06 -49.32 74.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.95 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 36.5 mm -64.48 -49.95 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.038 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.8 -40.29 94.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -60.63 -52.48 64.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.47 -31.54 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 60.64 79.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 25.3 t30 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.838 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.835 0.35 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -48.01 69.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.42 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.683 HD12 ' CD1' ' A' ' 745' ' ' LEU . 1.9 pp -58.69 -34.69 71.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.992 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 3.7 mt -65.4 -31.8 73.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.316 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -63.66 -44.12 94.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.637 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.24 -48.16 58.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.683 ' CD1' HD12 ' A' ' 741' ' ' LEU . 5.6 mt -63.03 -45.8 90.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.398 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 37.2 mmm -70.61 -28.39 64.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.81 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.784 179.888 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.878 0.37 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -33.54 72.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 93.5 mt -61.88 -40.43 95.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.55 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 86.7 mt -57.01 -36.41 70.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.578 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 743' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' ' 746' ' ' MET . 0.2 OUTLIER -60.11 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.595 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.77 -48.08 56.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 7.9 mt -55.71 -49.51 72.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.762 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 746' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 743' ' ' GLN . 4.9 ppp? -68.64 -38.06 80.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.856 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.916 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.824 0.345 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 740' ' ' ARG . . . . . 0.675 ' NH2' ' HB2' ' A' ' 744' ' ' ALA . 0.0 OUTLIER -58.9 -32.04 69.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.94 -40.36 97.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.677 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.08 -34.72 72.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.528 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.13 -46.48 88.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.624 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 744' ' ' ALA . . . . . 0.675 ' HB2' ' NH2' ' A' ' 740' ' ' ARG . . . -70.27 -48.11 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.5 -44.62 96.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.601 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.2 mmm -69.57 -27.6 65.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.94 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 23.9 t0 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.969 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.876 0.37 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -35.11 73.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.48 -42.44 92.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.757 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 745' ' ' LEU . 13.9 mt -57.46 -35.45 70.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -61.76 -46.49 89.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.715 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.23 -48.09 58.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 742' ' ' LEU . 4.3 mt -59.92 -48.04 83.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 11.0 mtp -68.83 -29.02 67.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.838 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 -60.21 -32.95 71.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 7.5 mt -61.03 -42.17 97.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.745 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.44 -35.98 70.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.643 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -47.1 85.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.73 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.24 -48.16 58.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.93 -44.92 96.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.571 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 6.2 mmt -68.69 -30.36 69.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 8.1 t0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.824 0.345 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -60.13 -33.2 71.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.86 -40.31 94.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.7 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.91 -36.3 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.566 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -47.39 86.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.694 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.42 -48.18 57.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.9 mt -60.63 -43.87 97.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.514 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 60.4 mtp -65.96 -30.04 70.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.837 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 41.4 t0 . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.766 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 N--CA 1.46 0.065 0 CA-C-O 120.834 0.35 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -32.56 71.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.761 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.47 ' HG ' HD11 ' A' ' 745' ' ' LEU . 9.8 tp -62.15 -39.95 94.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.722 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.4 ' HA ' HD12 ' A' ' 745' ' ' LEU . 2.5 mp -58.5 -36.55 73.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.549 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -45.78 93.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.611 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.21 -48.16 58.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.47 HD11 ' HG ' ' A' ' 741' ' ' LEU . 4.3 mt -60.75 -46.99 88.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.542 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 7.2 mtp -70.53 -29.74 66.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.799 0.333 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -69.3 -36.33 76.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.65 -39.71 89.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.65 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.49 -36.27 73.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.645 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -46.94 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.687 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.21 -48.15 58.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.28 -44.57 97.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.9 mmt -69.0 -29.9 68.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.816 0.341 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -61.74 -34.02 75.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.806 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.27 -39.68 91.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.679 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.33 -36.34 73.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.617 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.49 -46.72 88.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.697 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.44 -48.06 57.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.42 -44.14 97.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.515 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 47.3 mmm -67.95 -27.64 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.946 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.828 0.347 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -60.26 -36.67 78.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.96 -41.88 88.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' A' ' 745' ' ' LEU . 87.8 mt -56.93 -34.12 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.482 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 743' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 746' ' ' MET . 21.3 mm-40 -59.94 -47.52 85.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.528 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.68 -48.12 56.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.989 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 742' ' ' LEU . 7.4 mt -56.86 -49.49 75.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.595 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 746' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 743' ' ' GLN . 2.9 ppp? -69.12 -37.26 78.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.722 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.95 179.935 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 20.7 t0 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.792 0.329 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -39.06 93.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.71 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.59 ' HG ' HD11 ' A' ' 745' ' ' LEU . 17.7 tp -60.34 -35.87 76.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' A' ' 745' ' ' LEU . 3.8 mm? -59.9 -33.7 72.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.497 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -46.83 88.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.657 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.28 -48.1 58.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.59 HD11 ' HG ' ' A' ' 741' ' ' LEU . 5.4 mt -59.66 -47.54 85.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.549 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.4 mtm -66.99 -29.78 69.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.726 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 45.5 t0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.852 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.745 0.307 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -60.1 -40.34 89.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.26 -38.86 77.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 745' ' ' LEU . 0.5 OUTLIER -58.67 -32.35 69.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.514 179.633 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -62.17 -48.39 80.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.675 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.62 -48.07 56.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.157 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 742' ' ' LEU . 5.9 mt -57.22 -49.37 76.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.619 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -36.09 76.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.702 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.894 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.0 t0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.34 -33.09 73.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 10.6 mp -61.07 -42.11 97.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.4 mp -56.88 -36.36 70.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.666 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -47.79 84.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.52 -48.07 57.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.94 -47.21 83.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.539 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -67.79 -38.58 83.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.694 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.794 0.33 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -60.86 -31.17 70.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 741' ' ' LEU . . . . . 0.82 HD12 HD11 ' A' ' 745' ' ' LEU . 0.2 OUTLIER -63.32 -40.49 97.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 179.808 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' A' ' 745' ' ' LEU . 4.2 mp -58.19 -35.42 71.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.599 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.09 -46.69 89.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.1 58.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.035 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 745' ' ' LEU . . . . . 0.82 HD11 HD12 ' A' ' 741' ' ' LEU . 3.7 mt -60.19 -46.63 89.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.54 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 81.0 mtp -68.16 -28.81 67.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 35.3 t70 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.967 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -38.42 83.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.14 -38.74 80.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.68 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.92 -33.98 71.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.573 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -62.06 -47.6 83.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.752 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.05 58.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.77 -44.93 96.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.606 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 25.2 mmm -69.32 -29.83 67.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 12.6 t70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.92 0.391 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -60.27 -33.02 71.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.66 -42.79 97.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.822 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 13.8 mt -57.2 -35.67 69.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.691 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.91 -47.39 83.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.642 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.21 -48.1 58.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.6 mt -60.58 -45.4 94.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.683 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -30.58 69.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 8.5 t0 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.888 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.746 0.308 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -34.84 70.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.56 -40.76 92.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.657 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 742' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 742' ' ' LEU . 15.4 mt -58.04 -36.42 72.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.675 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -46.46 89.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.617 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.32 -48.09 58.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.4 mt -61.75 -44.5 96.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.649 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 53.9 mtp -71.31 -29.29 64.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.861 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.926 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.796 0.331 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -60.39 -34.5 73.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.87 -39.87 90.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.74 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 54.3 mt -58.55 -36.06 73.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.655 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -46.33 89.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.705 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.19 -48.24 58.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.4 mt -61.72 -44.61 96.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.593 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 7.9 mtt -71.14 -29.95 65.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.846 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 8.8 tpp85 -59.47 -34.26 72.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.14 -42.61 95.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.767 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 10.0 mp -57.6 -34.05 68.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.607 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -63.08 -47.28 83.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.64 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.12 58.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.43 -45.66 92.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.608 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 14.0 mtt -68.85 -28.64 66.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.975 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.807 0.336 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -60.37 -34.06 73.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.778 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 23.9 mt -61.42 -39.99 92.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.649 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.99 -36.22 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.684 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -46.56 90.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.593 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.52 -48.11 57.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.016 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.47 -46.53 88.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.459 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -67.43 -37.26 82.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.666 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.95 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.767 0.317 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -133.33 -46.68 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 10.6 mt 60.21 39.86 18.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -146.07 -177.26 5.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -97.26 42.04 2.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 2.9 t -103.96 -171.3 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -159.34 148.59 18.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 60.45 166.97 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 4.5 t -114.69 97.88 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.02 37.13 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -161.76 -41.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 26.8 m -55.46 -25.13 34.81 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.162 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -65.29 -57.54 8.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.965 0.412 . . . . 0.0 110.723 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.11 -31.54 71.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.668 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 72.2 t -78.13 -31.05 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.062 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.72 -26.91 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.63 -38.49 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -88.31 -33.3 18.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -62.18 -46.48 88.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -60.24 145.05 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 4.4 t -166.29 33.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -148.2 77.28 9.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.15 116.96 4.84 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.536 2.157 . . . . 0.0 112.276 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -174.33 36.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -128.21 117.11 20.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -81.3 161.92 23.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -156.45 144.3 19.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -80.52 -36.67 32.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -66.05 -26.79 67.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -48.01 69.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.42 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.683 HD12 ' CD1' ' A' ' 745' ' ' LEU . 1.9 pp -58.69 -34.69 71.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.992 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 3.7 mt -65.4 -31.8 73.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.316 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -63.66 -44.12 94.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.637 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.24 -48.16 58.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.683 ' CD1' HD12 ' A' ' 741' ' ' LEU . 5.6 mt -63.03 -45.8 90.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.398 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 37.2 mmm -70.61 -28.39 64.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.81 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -60.97 -34.7 75.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.784 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 748' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 745' ' ' LEU . 5.4 mt -61.79 -51.16 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.72 -31.53 71.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.83 -31.02 69.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.28 -33.89 72.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.93 83.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.853 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.806 0.336 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -150.98 31.92 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 45.5 mt -132.02 147.03 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -132.25 161.24 33.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -136.98 103.17 0.42 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.548 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.8 -179.67 5.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.77 0.319 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -104.29 -178.51 3.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -144.32 161.66 38.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 4.1 m 60.56 81.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.434 HD12 ' HD1' ' A' ' 721' ' ' TYR . 0.1 OUTLIER -176.61 -67.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 721' ' ' TYR . . . . . 0.434 ' HD1' HD12 ' A' ' 720' ' ' LEU . 4.1 m-85 -130.79 32.73 4.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 59.5 m -55.77 -27.11 49.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.806 ' O ' HG23 ' A' ' 727' ' ' VAL . 9.6 t0 -63.75 -56.45 15.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.975 0.417 . . . . 0.0 110.711 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.24 -31.39 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.722 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 72.5 t -77.21 -34.01 20.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -77.58 -27.0 51.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.287 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 723' ' ' ASP . 25.1 t -90.71 -38.24 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.592 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -96.69 -45.76 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.254 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -95.44 45.56 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -175.55 36.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.76 84.8 1.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -121.87 54.56 5.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -70.05 168.08 22.96 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.492 2.128 . . . . 0.0 112.269 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -106.37 35.71 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.14 158.8 43.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -106.64 86.0 2.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -150.73 -65.72 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.49 -30.23 69.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -59.44 -45.08 92.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -33.54 72.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 93.5 mt -61.88 -40.43 95.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.55 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 86.7 mt -57.01 -36.41 70.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.578 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 743' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' ' 746' ' ' MET . 0.2 OUTLIER -60.11 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.595 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.77 -48.08 56.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.499 ' HA ' HD12 ' A' ' 748' ' ' ILE . 7.9 mt -55.71 -49.51 72.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.762 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 746' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 743' ' ' GLN . 4.9 ppp? -68.64 -38.06 80.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.856 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.73 -45.5 89.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 748' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 745' ' ' LEU . 4.7 mt -62.07 -42.78 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.094 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 2.9 mp -61.67 -33.54 74.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.04 -35.35 74.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -60.42 -31.33 70.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 60.82 92.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.889 179.882 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.872 0.368 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.72 -31.66 10.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 6.2 mt 60.69 177.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -132.86 -64.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 94.75 -52.91 1.98 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.439 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.65 -71.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.758 0.313 . . . . 0.0 110.99 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -86.64 -22.08 26.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.256 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -171.67 146.8 2.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.3 34.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.473 HD12 ' CE1' ' A' ' 721' ' ' TYR . 0.2 OUTLIER -113.51 -59.62 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 721' ' ' TYR . . . . . 0.473 ' CE1' HD12 ' A' ' 720' ' ' LEU . 68.4 m-85 -106.96 71.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 43.5 m -56.02 -25.0 42.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.76 -57.41 9.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.93 0.395 . . . . 0.0 110.76 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.34 -31.41 70.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.612 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 75.3 t -77.85 -31.7 17.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.037 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.61 -27.03 65.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.853 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 28.0 t -60.69 -29.23 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -80.18 -30.31 38.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -67.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 2.4 m120 59.7 104.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.951 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.14 -67.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -149.05 147.99 25.61 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.4 -45.54 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.475 2.117 . . . . 0.0 112.293 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -104.17 -30.3 10.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.965 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.59 31.52 16.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -176.54 121.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 60.39 31.21 20.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -72.3 -31.5 65.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.62 -29.96 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 740' ' ' ARG . . . . . 0.675 ' NH2' ' HB2' ' A' ' 744' ' ' ALA . 0.0 OUTLIER -58.9 -32.04 69.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.94 -40.36 97.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.677 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.08 -34.72 72.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.528 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.13 -46.48 88.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.624 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 744' ' ' ALA . . . . . 0.675 ' HB2' ' NH2' ' A' ' 740' ' ' ARG . . . -70.27 -48.11 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.5 -44.62 96.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.601 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.2 mmm -69.57 -27.6 65.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.94 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -61.53 -36.25 80.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 42.0 mt -63.69 -51.74 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 750' ' ' ASN . 4.1 pp -74.45 -34.93 63.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.503 ' N ' HD12 ' A' ' 749' ' ' LEU . 18.0 t-20 -94.92 41.26 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.086 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.44 -30.98 68.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 60.82 39.87 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 8.9 m120 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.916 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.823 0.344 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -144.55 32.04 1.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 5.3 mt -106.51 151.33 25.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -143.52 31.2 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -109.46 -146.61 11.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 40.7 t -106.95 162.39 13.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -99.06 117.52 33.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -104.37 164.73 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.1 t -174.94 36.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.78 -31.43 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -126.96 78.64 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 5.9 m -56.51 -22.99 36.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.91 -58.85 5.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.876 0.37 . . . . 0.0 110.657 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -31.38 70.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.575 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 74.8 t -75.75 -32.27 23.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.89 -26.9 68.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 30.7 t -59.01 -28.72 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -81.18 -31.04 34.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.807 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -62.76 -43.84 97.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 60.74 36.44 19.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 1.5 p -147.75 157.6 43.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp 60.62 87.42 0.13 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.15 141.28 48.92 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.562 2.175 . . . . 0.0 112.281 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -73.88 -43.19 59.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -129.6 -178.3 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -93.25 115.09 27.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -107.49 -59.53 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.97 -48.53 81.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.2 -30.41 69.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -35.11 73.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.48 -42.44 92.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.757 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 745' ' ' LEU . 13.9 mt -57.46 -35.45 70.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -61.76 -46.49 89.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.715 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.23 -48.09 58.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 742' ' ' LEU . 4.3 mt -59.92 -48.04 83.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 11.0 mtp -68.83 -29.02 67.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.58 -34.29 73.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.838 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.13 -51.23 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.75 -33.38 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -60.41 -31.22 70.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.05 -55.77 29.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -86.62 53.09 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 60.5 t30 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.935 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.819 0.342 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -49.86 58.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 6.4 mt -129.52 172.1 11.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -82.6 -42.28 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 60.46 166.28 0.26 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 35.2 t -92.79 -50.85 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.328 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 60.16 36.22 21.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -105.88 111.63 24.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.9 m -128.28 135.47 49.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -107.06 -75.62 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.75 -21.24 12.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 17.4 t -55.54 -27.07 46.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -61.74 -56.31 20.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.733 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.27 -31.47 70.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.68 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 73.7 t -76.36 -31.32 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.064 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -58.63 -26.8 64.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.783 HG13 ' HB2' ' A' ' 732' ' ' LYS . 21.3 t -72.22 -29.39 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -85.98 -28.3 24.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.87 34.61 1.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -177.35 -176.34 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.793 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.29 97.95 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.783 ' HB2' HG13 ' A' ' 727' ' ' VAL . 6.1 mmtt -108.2 115.74 57.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.23 -12.63 34.36 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.387 2.058 . . . . 0.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 734' ' ' TYR . . . . . 0.403 ' CE2' ' O ' ' A' ' 732' ' ' LYS . 25.5 m-85 69.22 -68.21 0.19 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.836 0.35 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt 59.56 160.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 59.73 -169.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -91.42 90.38 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 738' ' ' ASP . . . . . 0.46 ' HA ' HD12 ' A' ' 741' ' ' LEU . 7.2 t70 -64.82 -35.88 82.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.04 -50.27 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 -60.21 -32.95 71.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 738' ' ' ASP . 7.5 mt -61.03 -42.17 97.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.745 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.44 -35.98 70.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.643 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -47.1 85.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.73 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.24 -48.16 58.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.553 ' O ' HD13 ' A' ' 749' ' ' LEU . 3.8 mt -60.93 -44.92 96.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.571 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 6.2 mmt -68.69 -30.36 69.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.54 -48.04 82.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 748' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 745' ' ' LEU . 4.3 mt -61.44 -43.88 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 745' ' ' LEU . 9.7 mp -61.75 -34.65 76.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -60.44 -53.47 57.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -60.21 -50.55 73.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -86.59 53.05 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 17.6 t30 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.883 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.839 0.352 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.84 85.16 1.68 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 90.2 mt -79.64 136.12 36.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 60.58 110.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -137.53 84.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 69.3 m -134.25 82.55 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -96.71 168.62 10.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -103.47 101.99 11.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 87.5 p -151.7 36.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.91 -60.68 1.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -109.2 -20.59 12.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.247 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -27.84 46.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -62.02 -56.37 19.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.683 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.09 -31.5 71.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.616 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 76.4 t -76.28 -32.16 21.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.86 -27.16 66.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.817 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.88 -24.79 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.253 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -85.46 -29.3 24.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -98.27 29.84 3.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.009 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -63.75 -66.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.23 -176.22 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -110.05 96.59 26.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.16 -175.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.49 2.126 . . . . 0.0 112.385 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 68.62 -69.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 14.0 tttp 62.65 121.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -78.91 -178.05 5.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -128.2 114.91 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -80.46 -29.62 37.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -58.57 -31.17 67.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -60.13 -33.2 71.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.86 -40.31 94.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.7 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.91 -36.3 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.566 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -47.39 86.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.694 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.42 -48.18 57.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.9 mt -60.63 -43.87 97.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.514 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 746' ' ' MET . . . . . 0.536 ' HA ' HD21 ' A' ' 749' ' ' LEU . 60.4 mtp -65.96 -30.04 70.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.837 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -67.34 -45.54 76.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 41.9 mt -65.66 -51.65 60.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.389 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.669 HD12 ' N ' ' A' ' 750' ' ' ASN . 3.7 pp -63.43 -39.45 94.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 110.818 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.669 ' N ' HD12 ' A' ' 749' ' ' LEU . 24.6 t-20 -73.04 -33.52 65.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.659 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 51.96 86.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -175.73 39.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 6.4 m120 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.133 -0.937 . . . . 0.0 110.924 179.903 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.821 0.343 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -158.14 151.08 22.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 16.1 mt -151.15 139.78 20.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 60.63 100.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 91.16 111.7 1.67 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.551 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 7.1 m -138.47 109.02 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.755 0.312 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 60.72 34.91 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -124.72 149.25 47.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 16.4 t 60.13 83.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.477 ' O ' HD13 ' A' ' 720' ' ' LEU . 0.3 OUTLIER -137.73 -47.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 721' ' ' TYR . . . . . 0.471 ' CD2' HG21 ' A' ' 725' ' ' VAL . 10.1 t80 -143.5 -42.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 10.1 m -53.38 -25.36 15.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.103 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.46 -59.36 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.781 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.28 -31.43 70.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.642 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 725' ' ' VAL . . . . . 0.471 HG21 ' CD2' ' A' ' 721' ' ' TYR . 74.7 t -77.48 -30.23 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.013 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.19 -26.84 61.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.858 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 20.7 t -58.94 -30.16 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -78.07 -23.43 48.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.21 -23.6 22.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.272 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -166.35 -174.8 3.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 731' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 731' ' ' THR . 27.8 m 61.94 31.48 18.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.81 144.21 2.28 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.815 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.39 132.41 22.27 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.544 2.163 . . . . 0.0 112.24 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -120.51 -43.17 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -98.1 36.33 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -119.5 -64.28 1.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 60.7 93.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 738' ' ' ASP . . . . . 0.705 ' O ' HD12 ' A' ' 742' ' ' LEU . 0.9 OUTLIER -79.27 -33.92 43.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.1 -53.75 54.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -32.56 71.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.761 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.47 ' HG ' HD11 ' A' ' 745' ' ' LEU . 9.8 tp -62.15 -39.95 94.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.722 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.705 HD12 ' O ' ' A' ' 738' ' ' ASP . 2.5 mp -58.5 -36.55 73.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.549 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -45.78 93.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.611 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.21 -48.16 58.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.699 ' HA ' HD12 ' A' ' 748' ' ' ILE . 4.3 mt -60.75 -46.99 88.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.542 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 7.2 mtp -70.53 -29.74 66.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.85 -39.2 91.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 748' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 745' ' ' LEU . 4.2 mt -61.09 -47.57 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.81 -38.75 89.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -61.07 -26.27 67.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -56.92 -32.45 65.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.058 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -176.86 83.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.887 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.77 0.319 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.53 32.28 4.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.996 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 91.0 mt -149.2 -178.17 6.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -128.99 151.14 50.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -136.33 66.79 0.55 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.8 t -97.47 178.72 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.735 0.303 . . . . 0.0 111.032 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -134.09 176.8 8.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 26.3 p30 -98.97 31.56 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 14.7 m -146.98 161.47 40.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 720' ' ' LEU . 4.2 mm? -112.7 -51.23 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -80.08 -22.02 42.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.188 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 4.2 t -56.73 -24.92 53.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -64.13 -57.05 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.342 . . . . 0.0 110.695 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.24 -31.49 71.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.607 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 76.0 t -77.32 -32.49 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.056 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.11 -26.85 69.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.815 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 28.4 t -70.28 -30.8 44.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -91.92 -31.68 15.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -125.46 46.09 2.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -60.26 114.75 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.26 99.83 12.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt 63.14 145.11 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.45 115.19 4.19 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.558 2.172 . . . . 0.0 112.312 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -100.5 31.25 3.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.69 37.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -176.94 82.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 737' ' ' ARG . . . . . 0.62 ' HG2' HD13 ' A' ' 741' ' ' LEU . 14.2 ttm180 -71.69 -37.98 70.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.008 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -59.86 -30.69 69.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.06 -53.83 53.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -69.3 -36.33 76.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.62 HD13 ' HG2' ' A' ' 737' ' ' ARG . 5.1 mp -60.65 -39.71 89.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.65 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.49 -36.27 73.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.645 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -46.94 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.687 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.21 -48.15 58.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.28 -44.57 97.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.9 mmt -69.0 -29.9 68.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -61.08 -41.31 96.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 38.4 mm -62.86 -38.62 82.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 749' ' ' LEU . 0.2 OUTLIER -61.64 -36.51 80.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -67.7 -55.76 11.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 57.11 30.92 19.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -172.98 39.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 6.7 t30 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.915 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.89 0.376 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.28 135.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.08 -178.88 4.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -80.54 -31.52 36.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -59.84 104.25 0.55 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 2.2 m -108.81 -38.18 5.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 61.4 154.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.822 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -66.39 -179.81 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.09 112.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.15 27.56 4.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -111.87 -21.99 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 54.2 p -57.26 -25.62 59.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.078 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.622 ' O ' HG23 ' A' ' 727' ' ' VAL . 2.7 m-20 -62.33 -56.78 15.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.666 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.25 -31.41 70.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.74 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 77.7 t -76.65 -33.0 21.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.211 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -69.03 -27.1 65.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 723' ' ' ASP . 21.5 t -59.71 -44.01 92.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -89.83 -31.35 17.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -95.76 45.75 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -175.66 107.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 1.6 t -154.61 94.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 732' ' ' LYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 734' ' ' TYR . 0.1 OUTLIER -114.81 87.33 14.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.51 -45.68 38.32 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.609 2.206 . . . . 0.0 112.24 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 734' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 732' ' ' LYS . 3.0 m-85 64.3 -78.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.974 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -150.09 145.59 26.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -63.06 -174.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.42 47.48 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.798 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.63 -30.51 36.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.4 -40.78 87.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -61.74 -34.02 75.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.806 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.27 -39.68 91.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.679 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.33 -36.34 73.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.617 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.49 -46.72 88.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.697 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.44 -48.06 57.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 748' ' ' ILE . 3.5 mt -61.42 -44.14 97.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.515 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 47.3 mmm -67.95 -27.64 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -58.67 -34.38 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 748' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 745' ' ' LEU . 5.5 mt -61.1 -45.61 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.56 -39.39 90.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.733 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -72.03 -47.54 51.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.839 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 61.09 92.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 61.56 76.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.96 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.882 0.373 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -83.08 -49.47 9.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 7.3 mt -106.02 91.95 3.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.25 -51.62 11.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 143.81 -128.6 3.38 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.53 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.9 m -104.28 -52.36 2.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.51 -177.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -138.35 148.05 44.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 2.3 m -79.12 -177.19 5.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.506 HD12 ' CD2' ' A' ' 721' ' ' TYR . 0.3 OUTLIER -83.21 -56.49 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 721' ' ' TYR . . . . . 0.506 ' CD2' HD12 ' A' ' 720' ' ' LEU . 21.6 m-85 -146.48 31.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 44.2 m -56.55 -24.61 48.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.03 -57.25 9.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.71 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -31.41 70.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.617 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 76.9 t -78.03 -31.6 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.32 -26.92 65.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.872 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.93 -30.37 23.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -86.75 -31.44 20.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -92.98 48.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -175.88 -41.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 32.7 m -108.19 83.47 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.1 148.63 13.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.26 -168.82 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.674 2.25 . . . . 0.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -149.51 31.7 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -83.79 -29.94 26.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 1.5 t60 62.55 114.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.98 37.29 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 738' ' ' ASP . . . . . 0.576 ' HA ' HD12 ' A' ' 741' ' ' LEU . 2.0 m-20 -69.47 -39.58 77.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.0 -40.01 95.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -60.26 -36.67 78.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 738' ' ' ASP . 12.2 mt -58.96 -41.88 88.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' A' ' 745' ' ' LEU . 87.8 mt -56.93 -34.12 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.482 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 743' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 746' ' ' MET . 21.3 mm-40 -59.94 -47.52 85.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.528 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.68 -48.12 56.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.989 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.652 ' HA ' HD12 ' A' ' 748' ' ' ILE . 7.4 mt -56.86 -49.49 75.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.595 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 746' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 743' ' ' GLN . 2.9 ppp? -69.12 -37.26 78.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.722 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.24 -43.53 78.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 748' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 745' ' ' LEU . 4.6 mt -60.57 -51.53 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.023 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.409 ' HA ' HD12 ' A' ' 749' ' ' LEU . 10.8 tp -64.77 -37.49 87.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -96.63 32.04 2.15 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -58.11 -31.13 66.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -176.69 79.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.166 -0.921 . . . . 0.0 110.889 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.742 0.306 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -62.86 111.63 2.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 14.2 mt -84.28 160.55 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -154.66 163.0 40.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 103.14 -82.07 0.38 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.421 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.43 122.34 6.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.739 0.304 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.13 31.57 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -106.77 -21.69 12.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 86.4 p -176.71 37.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.799 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.75 -46.94 6.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -98.92 29.81 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 46.8 p -56.95 -26.94 60.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.533 ' O ' HG23 ' A' ' 727' ' ' VAL . 3.6 t0 -62.63 -56.36 18.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.652 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -31.34 70.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.76 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 71.8 t -76.78 -33.69 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.86 -27.69 68.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 723' ' ' ASP . 28.5 t -63.09 -30.71 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -87.29 -31.5 20.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -98.77 30.23 3.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -62.16 -175.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 1.8 p -106.3 90.27 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -58.44 109.88 2.17 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.09 -26.9 34.52 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.321 2.014 . . . . 0.0 112.363 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -59.3 98.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -90.66 -177.12 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -98.19 119.95 37.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.26 142.35 31.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 738' ' ' ASP . . . . . 0.747 ' O ' HD23 ' A' ' 742' ' ' LEU . 5.4 t70 -75.21 -43.46 51.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -57.75 -51.7 68.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -39.06 93.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.71 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.59 ' HG ' HD11 ' A' ' 745' ' ' LEU . 17.7 tp -60.34 -35.87 76.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 738' ' ' ASP . 3.8 mm? -59.9 -33.7 72.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.497 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -46.83 88.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.657 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.28 -48.1 58.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.59 HD11 ' HG ' ' A' ' 741' ' ' LEU . 5.4 mt -59.66 -47.54 85.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.549 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.4 mtm -66.99 -29.78 69.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.726 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -61.49 -47.15 86.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 41.0 mm -62.3 -48.06 90.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -39.81 92.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.799 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -71.87 -42.04 67.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 60.36 91.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.01 39.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.939 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.755 0.312 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -152.61 80.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 14.7 mt -152.9 101.96 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -141.21 132.72 26.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -156.01 122.97 1.26 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 70.3 m -140.73 144.67 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -104.6 108.72 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -160.12 124.72 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.86 85.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.92 -61.19 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -154.37 88.83 1.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 20.5 m -55.92 -26.0 45.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.574 ' O ' HG23 ' A' ' 727' ' ' VAL . 2.0 m-20 -62.23 -57.24 12.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.994 0.426 . . . . 0.0 110.752 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.13 -31.57 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.715 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 72.8 t -76.43 -32.68 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -68.96 -26.99 65.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 723' ' ' ASP . 21.5 t -58.86 -30.73 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.206 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -87.85 -33.85 18.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.779 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -111.62 38.51 2.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -59.63 143.47 50.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 4.3 m 60.77 109.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -128.88 87.15 55.47 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.32 138.33 55.61 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.559 2.172 . . . . 0.0 112.322 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -167.89 -43.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.29 126.16 26.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -130.32 -47.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 737' ' ' ARG . . . . . 0.474 ' O ' HD23 ' A' ' 741' ' ' LEU . 1.3 mpt_? -75.44 95.9 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -60.13 -31.33 69.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.21 -50.47 73.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -60.1 -40.34 89.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 737' ' ' ARG . 4.4 mm? -58.26 -38.86 77.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.708 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 745' ' ' LEU . 0.5 OUTLIER -58.67 -32.35 69.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.514 179.633 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -62.17 -48.39 80.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.675 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.62 -48.07 56.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.157 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.725 ' HA ' HD12 ' A' ' 748' ' ' ILE . 5.9 mt -57.22 -49.37 76.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.619 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -36.09 76.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.702 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.75 -39.72 71.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 748' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 745' ' ' LEU . 4.8 mt -60.42 -51.47 72.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.72 -39.93 93.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -61.18 -35.26 76.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.18 -49.21 78.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -86.74 53.15 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.998 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.849 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.828 0.347 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.09 109.68 21.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 48.7 mt -106.54 89.59 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.59 -40.17 5.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -154.09 -85.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.521 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 57.8 m 62.93 -79.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.658 0.266 . . . . 0.0 111.016 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -68.7 91.71 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -126.33 59.06 1.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 11.6 p 59.31 109.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.81 -73.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -119.94 30.67 6.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 12.1 t -57.15 -25.05 58.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 727' ' ' VAL . 1.7 t70 -61.83 -57.01 13.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.752 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -31.44 70.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.689 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 72.2 t -76.32 -32.59 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -67.41 -27.04 66.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 723' ' ' ASP . 30.7 t -59.41 -30.31 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -81.92 -31.25 31.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -64.3 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 2.3 t30 60.32 -169.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.71 114.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt 60.98 75.18 0.47 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.75 -168.04 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.64 2.227 . . . . 0.0 112.344 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -135.34 29.41 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 21.1 mttt 58.46 30.99 20.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -142.95 127.7 18.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 737' ' ' ARG . . . . . 0.509 ' O ' HD13 ' A' ' 741' ' ' LEU . 16.4 mtm180 -154.13 80.83 1.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 738' ' ' ASP . . . . . 0.618 ' O ' HD12 ' A' ' 742' ' ' LEU . 7.9 t70 -60.21 -31.21 69.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -59.93 -48.6 81.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.34 -33.09 73.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 737' ' ' ARG . 10.6 mp -61.07 -42.11 97.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 738' ' ' ASP . 4.4 mp -56.88 -36.36 70.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.666 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -47.79 84.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 744' ' ' ALA . . . . . 0.402 ' O ' HD12 ' A' ' 748' ' ' ILE . . . -70.52 -48.07 57.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.528 ' HA ' HD12 ' A' ' 748' ' ' ILE . 6.1 mt -57.94 -47.21 83.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.539 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -67.79 -38.58 83.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.694 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -60.02 -46.19 90.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 748' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 745' ' ' LEU . 4.9 mt -61.9 -49.82 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.74 -38.71 88.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -60.12 -36.24 77.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -60.43 -42.16 95.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 60.62 89.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.946 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.847 0.356 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -139.84 32.02 2.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.439 HD13 ' OD1' ' A' ' 747' ' ' ASP . 15.8 mt -153.31 157.71 40.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.949 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -86.76 107.71 18.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -61.22 -36.51 92.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 70.7 m 60.35 166.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.94 87.98 6.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -120.37 31.92 6.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 4.9 p -106.02 31.56 5.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.82 43.19 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 721' ' ' TYR . . . . . 0.501 ' CE2' ' CG ' ' A' ' 724' ' ' TYR . 0.7 OUTLIER 49.76 27.88 2.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.253 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 2.4 m -58.53 -24.76 61.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.067 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.863 ' O ' HG23 ' A' ' 727' ' ' VAL . 1.8 m-20 -63.0 -56.4 17.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 110.725 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 724' ' ' TYR . . . . . 0.501 ' CG ' ' CE2' ' A' ' 721' ' ' TYR . 0.6 OUTLIER -68.3 -31.2 70.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.711 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 78.8 t -77.72 -32.27 17.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -76.09 -26.78 56.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.223 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 723' ' ' ASP . 25.9 t -83.24 -25.23 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.386 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -101.72 -31.39 10.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.064 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -98.36 31.24 2.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 730' ' ' ASN . . . . . 0.7 ' O ' HG23 ' A' ' 731' ' ' THR . 7.6 p30 -69.91 66.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 731' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 730' ' ' ASN . 0.7 OUTLIER -170.14 116.31 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -157.38 89.19 2.5 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.823 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.24 147.65 72.89 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.518 2.145 . . . . 0.0 112.26 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 3.6 t80 60.21 68.88 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.791 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -163.51 -43.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 1.1 m80 65.78 -76.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 61.48 40.56 13.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 738' ' ' ASP . . . . . 0.616 ' O ' HD12 ' A' ' 742' ' ' LEU . 1.0 OUTLIER -78.02 -36.54 48.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -60.02 -50.18 74.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -60.86 -31.17 70.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.82 HD12 HD11 ' A' ' 745' ' ' LEU . 0.2 OUTLIER -63.32 -40.49 97.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 179.808 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.616 HD12 ' O ' ' A' ' 738' ' ' ASP . 4.2 mp -58.19 -35.42 71.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.599 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.09 -46.69 89.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.1 58.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.035 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.82 HD11 HD12 ' A' ' 741' ' ' LEU . 3.7 mt -60.19 -46.63 89.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.54 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 81.0 mtp -68.16 -28.81 67.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 747' ' ' ASP . . . . . 0.439 ' OD1' HD13 ' A' ' 713' ' ' LEU . 35.3 t70 -59.69 -34.25 72.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 39.7 mt -62.96 -48.05 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.73 -39.37 91.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -61.8 -56.84 15.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -61.42 -31.42 71.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.972 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 60.74 82.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 15.9 m120 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.901 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.847 0.356 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.68 36.42 2.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 7.5 mt 60.29 47.24 9.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 61.17 159.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -96.82 -63.69 0.92 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 5.2 m 60.68 162.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.24 97.59 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.97 167.08 10.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.7 m -86.35 94.37 9.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.77 79.52 1.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 721' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 724' ' ' TYR . 0.2 OUTLIER 48.71 51.89 14.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.279 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 2.9 m -57.43 -23.26 48.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -58.22 -57.68 11.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 724' ' ' TYR . . . . . 0.44 ' HB3' ' CD2' ' A' ' 721' ' ' TYR . 0.4 OUTLIER -68.25 -31.52 71.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.702 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 93.5 t -74.53 -30.45 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.116 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -58.39 -26.96 63.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 27.8 t -62.65 -38.58 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -88.5 -31.62 18.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.6 -31.49 72.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -176.18 112.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 17.7 p -62.04 160.97 11.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.57 158.8 33.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.22 176.97 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.599 2.199 . . . . 0.0 112.293 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -152.26 -66.14 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -113.4 -37.14 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.14 104.22 16.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -131.03 -66.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -66.6 -31.2 71.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.2 -41.97 94.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -38.42 83.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.14 -38.74 80.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.68 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.92 -33.98 71.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.573 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -62.06 -47.6 83.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.752 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.05 58.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.512 ' HA ' HD12 ' A' ' 748' ' ' ILE . 4.1 mt -60.77 -44.93 96.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.606 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 25.2 mmm -69.32 -29.83 67.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -60.55 -44.28 96.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 748' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 745' ' ' LEU . 4.4 mt -61.66 -50.06 81.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 7.6 mt -61.73 -38.94 89.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -56.46 21.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.45 -32.79 71.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 60.44 90.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.946 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.886 0.374 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 2.2 tttp 60.52 93.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 24.7 mt -101.72 107.51 18.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -154.41 117.7 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 173.79 -175.74 46.37 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.08 32.13 20.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -147.14 79.42 1.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.05 149.39 35.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 10.1 t -150.76 34.67 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.63 -58.1 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -131.16 70.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.46 -25.12 49.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.0 -57.33 8.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.718 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 724' ' ' TYR . . . . . 0.404 ' CZ ' ' CE1' ' A' ' 728' ' ' PHE . 0.7 OUTLIER -68.2 -31.41 70.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.702 179.783 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.08 -31.55 16.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.037 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.07 -26.98 65.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.72 -27.93 32.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 728' ' ' PHE . . . . . 0.404 ' CE1' ' CZ ' ' A' ' 724' ' ' TYR . 48.6 m-85 -78.35 -27.73 47.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -57.77 -33.51 68.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 60.04 -169.78 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 65.6 m -82.15 -52.47 6.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -141.51 156.09 66.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.08 -24.65 27.97 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.503 2.135 . . . . 0.0 112.349 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 65.25 -77.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -148.83 31.72 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 3.8 m80 60.17 91.97 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 737' ' ' ARG . . . . . 0.76 ' O ' HD23 ' A' ' 741' ' ' LEU . 6.4 ttp85 -99.69 36.12 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -66.45 -46.16 77.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.88 -50.1 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -60.27 -33.02 71.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.76 HD23 ' O ' ' A' ' 737' ' ' ARG . 1.2 mm? -60.66 -42.79 97.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.822 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 13.8 mt -57.2 -35.67 69.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.691 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.91 -47.39 83.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.642 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.21 -48.1 58.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 749' ' ' LEU . 3.6 mt -60.58 -45.4 94.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.683 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -30.58 69.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -62.09 -48.71 78.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.56 -43.04 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 745' ' ' LEU . 4.3 mm? -61.8 -36.2 80.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -60.24 -54.83 41.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -60.82 -59.55 5.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 60.52 81.72 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.924 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.875 0.369 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -80.88 103.45 10.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 14.6 mt -150.31 -177.76 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.17 -65.9 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 96.28 -28.63 12.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 716' ' ' SER . . . . . 0.811 ' OG ' HD23 ' A' ' 720' ' ' LEU . 47.9 t -59.99 105.14 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -130.97 125.28 32.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 14.4 t0 61.21 86.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 22.3 t 60.67 157.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.811 HD23 ' OG ' ' A' ' 716' ' ' SER . 0.3 OUTLIER -133.02 -65.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 721' ' ' TYR . . . . . 0.418 ' CD2' ' HB3' ' A' ' 724' ' ' TYR . 0.8 OUTLIER -126.02 27.25 6.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.014 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -23.95 62.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 723' ' ' ASP . . . . . 0.624 ' O ' HG23 ' A' ' 727' ' ' VAL . 5.5 t0 -62.17 -57.1 12.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.899 0.38 . . . . 0.0 110.82 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 724' ' ' TYR . . . . . 0.418 ' HB3' ' CD2' ' A' ' 721' ' ' TYR . 0.5 OUTLIER -68.21 -31.47 71.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.681 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 76.7 t -76.65 -33.05 21.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.069 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.98 -27.43 65.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 723' ' ' ASP . 21.7 t -59.48 -30.76 45.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -87.3 -31.76 20.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -111.84 35.43 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -59.72 168.53 1.67 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.34 163.55 32.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.63 81.57 13.31 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.985 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.68 -61.43 0.53 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.497 2.131 . . . . 0.0 112.355 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -139.48 34.89 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -130.78 170.12 14.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -166.05 -179.71 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -135.51 39.03 2.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -59.48 -33.7 71.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.97 -36.93 78.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -34.84 70.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.56 -40.76 92.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.657 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 742' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 742' ' ' LEU . 15.4 mt -58.04 -36.42 72.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.675 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -46.46 89.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.617 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.32 -48.09 58.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.4 mt -61.75 -44.5 96.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.649 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 53.9 mtp -71.31 -29.29 64.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.861 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.24 -34.9 74.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 39.9 mt -63.54 -47.56 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -39.39 91.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -60.87 -56.95 15.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.83 -33.41 74.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.815 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 59.87 49.04 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.961 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 56.8 p . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.89 0.376 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.67 174.58 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 17.5 mt -74.01 145.59 44.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 68.6 -67.87 0.19 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 94.32 169.98 37.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.393 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 11.8 t -77.44 -42.92 34.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -149.41 35.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.03 150.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 3.5 m -74.74 147.67 41.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.22 -43.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.37 43.71 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.49 -26.8 33.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.95 -57.36 12.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.347 . . . . 0.0 110.705 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -31.38 70.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.738 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 75.8 t -75.8 -31.23 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -58.85 -26.99 64.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 727' ' ' VAL . . . . . 0.59 HG12 HG21 ' A' ' 731' ' ' THR . 21.4 t -60.52 -26.78 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.205 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -75.8 -23.28 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.137 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -55.11 -29.39 57.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.038 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 730' ' ' ASN . . . . . 0.486 ' O ' HG23 ' A' ' 731' ' ' THR . 12.2 p30 -176.06 118.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 731' ' ' THR . . . . . 0.59 HG21 HG12 ' A' ' 727' ' ' VAL . 0.6 OUTLIER -162.49 -70.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -58.83 109.64 2.03 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.45 -41.17 3.59 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.424 2.083 . . . . 0.0 112.358 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -81.04 97.93 7.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 735' ' ' LYS . . . . . 0.506 ' HB2' HD11 ' A' ' 741' ' ' LEU . 0.4 OUTLIER -126.04 176.53 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -60.47 -37.35 80.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -117.41 91.11 3.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -66.98 -34.11 77.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -65.55 -46.24 80.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -60.39 -34.5 73.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 735' ' ' LYS . 13.8 mt -60.87 -39.87 90.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.74 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 54.3 mt -58.55 -36.06 73.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.655 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -46.33 89.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.705 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.19 -48.24 58.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 745' ' ' LEU . . . . . 0.593 ' HA ' HD12 ' A' ' 748' ' ' ILE . 3.4 mt -61.72 -44.61 96.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.593 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 7.9 mtt -71.14 -29.95 65.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.38 -42.56 98.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 748' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 745' ' ' LEU . 4.6 mt -61.32 -46.19 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.065 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -31.14 71.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -60.22 -31.02 69.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -86.43 52.88 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.061 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -177.32 80.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.884 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 29.7 m . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.89 0.376 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.17 -33.66 7.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 24.1 mt -107.75 150.24 27.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -106.18 102.82 12.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 166.6 -123.82 1.17 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 10.8 t -176.42 109.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.807 0.337 . . . . 0.0 110.998 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.32 -174.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -134.64 79.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.34 121.36 44.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.76 -67.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -110.56 -22.5 11.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -27.84 53.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.062 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -62.1 -55.99 23.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.676 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -31.42 70.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.688 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 79.5 t -76.61 -31.91 20.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.025 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.14 -26.95 65.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.53 -30.49 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.191 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -90.77 -31.09 16.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -138.31 77.06 1.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -60.61 -31.6 70.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 2.7 t -119.78 107.4 13.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -166.49 68.52 1.05 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.984 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -56.04 85.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.6 2.2 . . . . 0.0 112.353 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 56.17 28.52 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 3.8 tttp 58.47 33.6 23.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.004 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.48 86.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -174.74 101.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.82 -35.56 77.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.983 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -60.3 -30.67 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 8.8 tpp85 -59.47 -34.26 72.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.14 -42.61 95.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.767 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 10.0 mp -57.6 -34.05 68.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.607 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -63.08 -47.28 83.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.64 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.12 58.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.43 -45.66 92.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.608 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 746' ' ' MET . . . . . 0.418 ' HA ' HD21 ' A' ' 749' ' ' LEU . 14.0 mtt -68.85 -28.64 66.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.39 -41.25 98.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.1 mm -64.28 -51.6 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 749' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 750' ' ' ASN . 4.4 pp -68.43 -31.41 70.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 750' ' ' ASN . . . . . 0.57 ' N ' HD12 ' A' ' 749' ' ' LEU . 3.7 m120 -62.71 -30.17 71.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -160.25 88.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -86.08 52.94 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 5.2 t30 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.875 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.879 0.371 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -142.41 119.55 11.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 713' ' ' LEU . . . . . 0.45 HD13 HD21 ' A' ' 720' ' ' LEU . 14.9 mt -105.65 132.01 52.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -95.64 -48.91 5.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -85.58 152.23 26.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 77.9 p -106.19 127.04 52.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -166.71 156.18 11.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.45 39.43 18.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 20.3 m 60.94 87.62 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 720' ' ' LEU . . . . . 0.45 HD21 HD13 ' A' ' 713' ' ' LEU . 0.2 OUTLIER -99.26 31.12 3.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -105.86 -25.96 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 1.5 m -60.26 -22.71 63.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.78 -58.0 8.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.821 0.344 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -31.5 71.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.68 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 73.4 t -77.83 -32.06 17.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.47 -26.96 65.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.12 -31.02 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -89.81 -29.8 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -93.79 46.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -176.87 95.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 19.9 p -69.24 178.9 2.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -161.16 79.42 2.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.66 63.39 1.73 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.608 2.206 . . . . 0.0 112.267 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -126.34 -47.93 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 14.9 mttt 60.49 84.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.3 157.7 13.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -98.6 29.72 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 738' ' ' ASP . . . . . 0.413 ' HA ' HD12 ' A' ' 741' ' ' LEU . 2.9 m-20 -80.52 -34.64 35.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.26 -42.21 93.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -60.37 -34.06 73.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.778 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 741' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 738' ' ' ASP . 23.9 mt -61.42 -39.99 92.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.649 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.99 -36.22 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.684 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -46.56 90.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.593 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.52 -48.11 57.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.016 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.47 -46.53 88.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.459 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -67.43 -37.26 82.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.666 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -56.06 -49.32 74.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.95 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 36.5 mm -64.48 -49.95 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.038 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.8 -40.29 94.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -60.63 -52.48 64.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.47 -31.54 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 60.64 79.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 25.3 t30 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.838 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.835 0.35 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -48.01 69.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.42 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.683 HD12 ' CD1' ' A' ' 745' ' ' LEU . 1.9 pp -58.69 -34.69 71.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.992 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 3.7 mt -65.4 -31.8 73.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.316 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -63.66 -44.12 94.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.637 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.24 -48.16 58.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.683 ' CD1' HD12 ' A' ' 741' ' ' LEU . 5.6 mt -63.03 -45.8 90.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.398 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 37.2 mmm -70.61 -28.39 64.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.81 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.784 179.888 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.878 0.37 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -33.54 72.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 93.5 mt -61.88 -40.43 95.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.55 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 86.7 mt -57.01 -36.41 70.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.578 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' ' 746' ' ' MET . 0.2 OUTLIER -60.11 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.595 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.77 -48.08 56.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 7.9 mt -55.71 -49.51 72.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.762 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 743' ' ' GLN . 4.9 ppp? -68.64 -38.06 80.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.856 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.916 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.824 0.345 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . 0.675 ' NH2' ' HB2' ' A' ' 744' ' ' ALA . 0.0 OUTLIER -58.9 -32.04 69.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.94 -40.36 97.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.677 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.08 -34.72 72.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.528 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -46.48 88.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.624 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . 0.675 ' HB2' ' NH2' ' A' ' 740' ' ' ARG . . . -70.27 -48.11 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.5 -44.62 96.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.601 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.2 mmm -69.57 -27.6 65.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.94 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 23.9 t0 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.969 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.876 0.37 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -35.11 73.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.48 -42.44 92.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.757 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 745' ' ' LEU . 13.9 mt -57.46 -35.45 70.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -61.76 -46.49 89.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.715 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.23 -48.09 58.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 742' ' ' LEU . 4.3 mt -59.92 -48.04 83.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 11.0 mtp -68.83 -29.02 67.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.838 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.82 0.343 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 -60.21 -32.95 71.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 7.5 mt -61.03 -42.17 97.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.745 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.44 -35.98 70.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.643 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -47.1 85.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.73 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.24 -48.16 58.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.8 mt -60.93 -44.92 96.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.571 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 6.2 mmt -68.69 -30.36 69.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 8.1 t0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.824 0.345 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -60.13 -33.2 71.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.86 -40.31 94.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.7 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.91 -36.3 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.566 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -47.39 86.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.694 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.42 -48.18 57.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.9 mt -60.63 -43.87 97.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.514 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 60.4 mtp -65.96 -30.04 70.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.837 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 41.4 t0 . . . . . 0 C--N 1.331 -0.208 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.766 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 N--CA 1.46 0.065 0 CA-C-O 120.834 0.35 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -32.56 71.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.761 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.47 ' HG ' HD11 ' A' ' 745' ' ' LEU . 9.8 tp -62.15 -39.95 94.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.722 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.4 ' HA ' HD12 ' A' ' 745' ' ' LEU . 2.5 mp -58.5 -36.55 73.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.549 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -45.78 93.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.611 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.21 -48.16 58.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.47 HD11 ' HG ' ' A' ' 741' ' ' LEU . 4.3 mt -60.75 -46.99 88.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.542 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 7.2 mtp -70.53 -29.74 66.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.799 0.333 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -69.3 -36.33 76.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 5.1 mp -60.65 -39.71 89.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.65 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.49 -36.27 73.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.645 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -46.94 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.687 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.21 -48.15 58.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.28 -44.57 97.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.9 mmt -69.0 -29.9 68.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.816 0.341 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -61.74 -34.02 75.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.806 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.27 -39.68 91.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.679 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.33 -36.34 73.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.617 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.49 -46.72 88.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.697 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.44 -48.06 57.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.42 -44.14 97.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.515 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 47.3 mmm -67.95 -27.64 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.946 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.828 0.347 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -60.26 -36.67 78.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 12.2 mt -58.96 -41.88 88.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' A' ' 745' ' ' LEU . 87.8 mt -56.93 -34.12 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.482 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 746' ' ' MET . 21.3 mm-40 -59.94 -47.52 85.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.528 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.68 -48.12 56.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.989 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 742' ' ' LEU . 7.4 mt -56.86 -49.49 75.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.595 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 743' ' ' GLN . 2.9 ppp? -69.12 -37.26 78.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.722 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.95 179.935 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 20.7 t0 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.792 0.329 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -39.06 93.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.71 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.59 ' HG ' HD11 ' A' ' 745' ' ' LEU . 17.7 tp -60.34 -35.87 76.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' A' ' 745' ' ' LEU . 3.8 mm? -59.9 -33.7 72.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.497 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -46.83 88.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.657 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.28 -48.1 58.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.59 HD11 ' HG ' ' A' ' 741' ' ' LEU . 5.4 mt -59.66 -47.54 85.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.549 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.4 mtm -66.99 -29.78 69.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.726 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 45.5 t0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.852 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.745 0.307 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -60.1 -40.34 89.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.26 -38.86 77.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 745' ' ' LEU . 0.5 OUTLIER -58.67 -32.35 69.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.514 179.633 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -62.17 -48.39 80.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.675 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.62 -48.07 56.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.157 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 742' ' ' LEU . 5.9 mt -57.22 -49.37 76.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.619 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -36.09 76.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.702 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.894 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.0 t0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.34 -33.09 73.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 10.6 mp -61.07 -42.11 97.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.4 mp -56.88 -36.36 70.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.666 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -47.79 84.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.52 -48.07 57.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 6.1 mt -57.94 -47.21 83.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.539 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -67.79 -38.58 83.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.694 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.794 0.33 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -60.86 -31.17 70.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . 0.82 HD12 HD11 ' A' ' 745' ' ' LEU . 0.2 OUTLIER -63.32 -40.49 97.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 179.808 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' A' ' 745' ' ' LEU . 4.2 mp -58.19 -35.42 71.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.599 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.09 -46.69 89.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.1 58.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.035 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . 0.82 HD11 HD12 ' A' ' 741' ' ' LEU . 3.7 mt -60.19 -46.63 89.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.54 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 81.0 mtp -68.16 -28.81 67.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 35.3 t70 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.967 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -38.42 83.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.14 -38.74 80.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.68 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.92 -33.98 71.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.573 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -62.06 -47.6 83.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.752 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.05 58.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.77 -44.93 96.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.606 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 25.2 mmm -69.32 -29.83 67.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 12.6 t70 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.92 0.391 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -60.27 -33.02 71.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.66 -42.79 97.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.822 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 13.8 mt -57.2 -35.67 69.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.691 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.91 -47.39 83.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.642 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.21 -48.1 58.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.6 mt -60.58 -45.4 94.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.683 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -30.58 69.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 8.5 t0 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.888 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.746 0.308 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -34.84 70.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.56 -40.76 92.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.657 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 742' ' ' LEU . 15.4 mt -58.04 -36.42 72.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.675 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -46.46 89.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.617 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.32 -48.09 58.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.4 mt -61.75 -44.5 96.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.649 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 53.9 mtp -71.31 -29.29 64.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.861 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.926 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.796 0.331 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -60.39 -34.5 73.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.87 -39.87 90.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.74 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 54.3 mt -58.55 -36.06 73.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.655 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -46.33 89.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.705 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.19 -48.24 58.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.4 mt -61.72 -44.61 96.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.593 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 7.9 mtt -71.14 -29.95 65.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.846 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.821 0.343 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 8.8 tpp85 -59.47 -34.26 72.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.14 -42.61 95.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.767 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 10.0 mp -57.6 -34.05 68.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.607 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -63.08 -47.28 83.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.64 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.12 58.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.43 -45.66 92.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.608 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 14.0 mtt -68.85 -28.64 66.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.975 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.807 0.336 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -60.37 -34.06 73.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.778 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 23.9 mt -61.42 -39.99 92.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.649 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.99 -36.22 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.684 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -46.56 90.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.593 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.52 -48.11 57.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.016 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.47 -46.53 88.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.459 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -67.43 -37.26 82.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.666 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.95 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.767 0.317 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -133.33 -46.68 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 10.6 mt 60.21 39.86 18.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -146.07 -177.26 5.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -97.26 42.04 2.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.483 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 2.9 t -103.96 -171.3 1.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.34 . . . . 0.0 110.947 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -159.34 148.59 18.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 60.45 166.97 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 4.5 t -114.69 97.88 6.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.02 37.13 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -161.76 -41.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 26.8 m -55.46 -25.13 34.81 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.162 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -65.29 -57.54 8.19 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.965 0.412 . . . . 0.0 110.723 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.11 -31.54 71.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.668 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 72.2 t -78.13 -31.05 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.062 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -57.72 -26.91 62.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.63 -38.49 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -88.31 -33.3 18.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -62.18 -46.48 88.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -60.24 145.05 48.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 4.4 t -166.29 33.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -148.2 77.28 9.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.15 116.96 4.84 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.536 2.157 . . . . 0.0 112.276 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -174.33 36.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -128.21 117.11 20.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -81.3 161.92 23.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -156.45 144.3 19.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -80.52 -36.67 32.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -66.05 -26.79 67.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.11 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.57 -48.01 69.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.42 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.683 HD12 ' CD1' ' A' ' 745' ' ' LEU . 1.9 pp -58.69 -34.69 71.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.992 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 3.7 mt -65.4 -31.8 73.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.316 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -63.66 -44.12 94.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.637 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.24 -48.16 58.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.683 ' CD1' HD12 ' A' ' 741' ' ' LEU . 5.6 mt -63.03 -45.8 90.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.398 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 37.2 mmm -70.61 -28.39 64.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.81 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -60.97 -34.7 75.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.784 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 745' ' ' LEU . 5.4 mt -61.79 -51.16 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.72 -31.53 71.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -59.83 -31.02 69.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.28 -33.89 72.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.832 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.93 83.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.853 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.806 0.336 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 51.0 mttm -150.98 31.92 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 45.5 mt -132.02 147.03 52.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -132.25 161.24 33.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -136.98 103.17 0.42 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.548 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.8 -179.67 5.68 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.77 0.319 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -104.29 -178.51 3.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -144.32 161.66 38.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 4.1 m 60.56 81.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.434 HD12 ' HD1' ' A' ' 721' ' ' TYR . 0.1 OUTLIER -176.61 -67.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . 0.434 ' HD1' HD12 ' A' ' 720' ' ' LEU . 4.1 m-85 -130.79 32.73 4.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 59.5 m -55.77 -27.11 49.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.806 ' O ' HG23 ' A' ' 727' ' ' VAL . 9.6 t0 -63.75 -56.45 15.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.975 0.417 . . . . 0.0 110.711 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.24 -31.39 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.722 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 72.5 t -77.21 -34.01 20.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.171 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -77.58 -27.0 51.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.287 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 723' ' ' ASP . 25.1 t -90.71 -38.24 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.592 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -96.69 -45.76 6.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.254 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -95.44 45.56 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -175.55 36.95 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.76 84.8 1.99 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 10.0 mttp -121.87 54.56 5.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -70.05 168.08 22.96 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.492 2.128 . . . . 0.0 112.269 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -106.37 35.71 2.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.14 158.8 43.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -106.64 86.0 2.26 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -150.73 -65.72 0.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.49 -30.23 69.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -59.44 -45.08 92.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.941 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -33.54 72.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 93.5 mt -61.88 -40.43 95.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.55 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 86.7 mt -57.01 -36.41 70.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.578 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' ' 746' ' ' MET . 0.2 OUTLIER -60.11 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.531 179.595 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.77 -48.08 56.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.499 ' HA ' HD12 ' A' ' 748' ' ' ILE . 7.9 mt -55.71 -49.51 72.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.762 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 743' ' ' GLN . 4.9 ppp? -68.64 -38.06 80.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.856 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.73 -45.5 89.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 745' ' ' LEU . 4.7 mt -62.07 -42.78 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.094 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 2.9 mp -61.67 -33.54 74.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -60.04 -35.35 74.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -60.42 -31.33 70.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 60.82 92.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.889 179.882 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.872 0.368 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.72 -31.66 10.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 6.2 mt 60.69 177.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -132.86 -64.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 94.75 -52.91 1.98 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.439 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.65 -71.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.758 0.313 . . . . 0.0 110.99 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -86.64 -22.08 26.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.256 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -171.67 146.8 2.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.3 34.41 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.473 HD12 ' CE1' ' A' ' 721' ' ' TYR . 0.2 OUTLIER -113.51 -59.62 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . 0.473 ' CE1' HD12 ' A' ' 720' ' ' LEU . 68.4 m-85 -106.96 71.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 43.5 m -56.02 -25.0 42.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.76 -57.41 9.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.93 0.395 . . . . 0.0 110.76 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.34 -31.41 70.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.612 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 75.3 t -77.85 -31.7 17.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.037 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.61 -27.03 65.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.853 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 28.0 t -60.69 -29.23 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -80.18 -30.31 38.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -67.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 2.4 m120 59.7 104.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.951 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.14 -67.68 0.94 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -149.05 147.99 25.61 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.4 -45.54 0.81 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.475 2.117 . . . . 0.0 112.293 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -104.17 -30.3 10.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.965 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.59 31.52 16.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 22.2 t-80 -176.54 121.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 27.4 mtt-85 60.39 31.21 20.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -72.3 -31.5 65.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.62 -29.96 69.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . 0.675 ' NH2' ' HB2' ' A' ' 744' ' ' ALA . 0.0 OUTLIER -58.9 -32.04 69.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.94 -40.36 97.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.677 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.08 -34.72 72.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.528 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -46.48 88.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.624 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . 0.675 ' HB2' ' NH2' ' A' ' 740' ' ' ARG . . . -70.27 -48.11 58.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.7 mt -61.5 -44.62 96.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.601 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.2 mmm -69.57 -27.6 65.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.94 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -61.53 -36.25 80.02 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 42.0 mt -63.69 -51.74 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.503 HD12 ' N ' ' A' ' 750' ' ' ASN . 4.1 pp -74.45 -34.93 63.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.503 ' N ' HD12 ' A' ' 749' ' ' LEU . 18.0 t-20 -94.92 41.26 1.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.086 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.44 -30.98 68.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 60.82 39.87 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 8.9 m120 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.3 -0.857 . . . . 0.0 110.916 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.823 0.344 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 73.6 mttt -144.55 32.04 1.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 5.3 mt -106.51 151.33 25.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -143.52 31.2 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -109.46 -146.61 11.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 40.7 t -106.95 162.39 13.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 6.8 pm0 -99.06 117.52 33.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -104.37 164.73 11.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.1 t -174.94 36.94 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.78 -31.43 70.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -126.96 78.64 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 5.9 m -56.51 -22.99 36.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.91 -58.85 5.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.876 0.37 . . . . 0.0 110.657 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -31.38 70.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.575 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 74.8 t -75.75 -32.27 23.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.1 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.89 -26.9 68.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 30.7 t -59.01 -28.72 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -81.18 -31.04 34.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.807 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -62.76 -43.84 97.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 60.74 36.44 19.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 1.5 p -147.75 157.6 43.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp 60.62 87.42 0.13 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.15 141.28 48.92 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.562 2.175 . . . . 0.0 112.281 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -73.88 -43.19 59.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 7.3 mtmm -129.6 -178.3 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -93.25 115.09 27.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -107.49 -59.53 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -60.97 -48.53 81.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -60.2 -30.41 69.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -35.11 73.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.48 -42.44 92.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.757 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 745' ' ' LEU . 13.9 mt -57.46 -35.45 70.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -61.76 -46.49 89.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.715 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.23 -48.09 58.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 742' ' ' LEU . 4.3 mt -59.92 -48.04 83.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.588 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 11.0 mtp -68.83 -29.02 67.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -60.58 -34.29 73.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.838 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 37.0 mm -62.13 -51.23 74.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.043 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.75 -33.38 73.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -60.41 -31.22 70.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.05 -55.77 29.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.974 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -86.62 53.09 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 60.5 t30 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.935 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.819 0.342 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -49.86 58.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 6.4 mt -129.52 172.1 11.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -82.6 -42.28 18.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 60.46 166.28 0.26 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 35.2 t -92.79 -50.85 5.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.328 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 60.16 36.22 21.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -105.88 111.63 24.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.9 m -128.28 135.47 49.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -107.06 -75.62 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.75 -21.24 12.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.211 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 17.4 t -55.54 -27.07 46.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -61.74 -56.31 20.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.733 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.27 -31.47 70.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.68 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 73.7 t -76.36 -31.32 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.064 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -58.63 -26.8 64.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.91 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.783 HG13 ' HB2' ' A' ' 732' ' ' LYS . 21.3 t -72.22 -29.39 31.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.142 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -85.98 -28.3 24.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.87 34.61 1.86 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -177.35 -176.34 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.793 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.29 97.95 8.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.783 ' HB2' HG13 ' A' ' 727' ' ' VAL . 6.1 mmtt -108.2 115.74 57.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.23 -12.63 34.36 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.387 2.058 . . . . 0.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . 0.403 ' CE2' ' O ' ' A' ' 732' ' ' LYS . 25.5 m-85 69.22 -68.21 0.19 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.836 0.35 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt 59.56 160.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 59.73 -169.44 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 27.5 mtt180 -91.42 90.38 7.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . 0.46 ' HA ' HD12 ' A' ' 741' ' ' LEU . 7.2 t70 -64.82 -35.88 82.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.04 -50.27 71.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.7 ttm-85 -60.21 -32.95 71.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.805 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 738' ' ' ASP . 7.5 mt -61.03 -42.17 97.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.745 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.44 -35.98 70.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.643 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -47.1 85.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.73 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.24 -48.16 58.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.553 ' O ' HD13 ' A' ' 749' ' ' LEU . 3.8 mt -60.93 -44.92 96.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.571 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 6.2 mmt -68.69 -30.36 69.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -61.54 -48.04 82.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.823 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 745' ' ' LEU . 4.3 mt -61.44 -43.88 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 745' ' ' LEU . 9.7 mp -61.75 -34.65 76.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -60.44 -53.47 57.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.806 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -60.21 -50.55 73.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -86.59 53.05 2.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 17.6 t30 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.883 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.839 0.352 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.84 85.16 1.68 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 90.2 mt -79.64 136.12 36.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 60.58 110.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -137.53 84.09 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 69.3 m -134.25 82.55 1.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.797 0.332 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -96.71 168.62 10.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -103.47 101.99 11.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 87.5 p -151.7 36.4 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.91 -60.68 1.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -109.2 -20.59 12.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.247 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.92 -27.84 46.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -62.02 -56.37 19.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.683 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.09 -31.5 71.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.616 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 76.4 t -76.28 -32.16 21.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.032 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.86 -27.16 66.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.817 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.88 -24.79 30.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.253 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -85.46 -29.3 24.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.943 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -98.27 29.84 3.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.009 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -63.75 -66.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.23 -176.22 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -110.05 96.59 26.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.16 -175.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.49 2.126 . . . . 0.0 112.385 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER 68.62 -69.57 0.15 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 14.0 tttp 62.65 121.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -78.91 -178.05 5.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -128.2 114.91 17.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -80.46 -29.62 37.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -58.57 -31.17 67.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -60.13 -33.2 71.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.818 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 37.4 mt -61.86 -40.31 94.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.7 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 10.5 mp -57.91 -36.3 72.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.566 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -47.39 86.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.694 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.42 -48.18 57.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.9 mt -60.63 -43.87 97.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.514 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . 0.536 ' HA ' HD21 ' A' ' 749' ' ' LEU . 60.4 mtp -65.96 -30.04 70.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.837 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -67.34 -45.54 76.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 41.9 mt -65.66 -51.65 60.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.389 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.669 HD12 ' N ' ' A' ' 750' ' ' ASN . 3.7 pp -63.43 -39.45 94.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 110.818 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.669 ' N ' HD12 ' A' ' 749' ' ' LEU . 24.6 t-20 -73.04 -33.52 65.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.659 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 51.96 86.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -175.73 39.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 6.4 m120 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.133 -0.937 . . . . 0.0 110.924 179.903 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.821 0.343 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -158.14 151.08 22.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 16.1 mt -151.15 139.78 20.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 60.63 100.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 91.16 111.7 1.67 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.551 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 7.1 m -138.47 109.02 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.755 0.312 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 60.72 34.91 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -124.72 149.25 47.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 16.4 t 60.13 83.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.477 ' O ' HD13 ' A' ' 720' ' ' LEU . 0.3 OUTLIER -137.73 -47.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.938 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . 0.471 ' CD2' HG21 ' A' ' 725' ' ' VAL . 10.1 t80 -143.5 -42.88 0.28 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 10.1 m -53.38 -25.36 15.18 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.103 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -64.46 -59.36 4.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 0.0 110.781 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.28 -31.43 70.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.642 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . 0.471 HG21 ' CD2' ' A' ' 721' ' ' TYR . 74.7 t -77.48 -30.23 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.013 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.19 -26.84 61.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.858 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 20.7 t -58.94 -30.16 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -78.07 -23.43 48.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.21 -23.6 22.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.272 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -166.35 -174.8 3.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 731' ' ' THR . 27.8 m 61.94 31.48 18.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.81 144.21 2.28 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.815 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.39 132.41 22.27 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.544 2.163 . . . . 0.0 112.24 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -120.51 -43.17 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -98.1 36.33 1.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -119.5 -64.28 1.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 60.7 93.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . 0.705 ' O ' HD12 ' A' ' 742' ' ' LEU . 0.9 OUTLIER -79.27 -33.92 43.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.955 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.1 -53.75 54.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -32.56 71.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.761 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.47 ' HG ' HD11 ' A' ' 745' ' ' LEU . 9.8 tp -62.15 -39.95 94.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.722 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.705 HD12 ' O ' ' A' ' 738' ' ' ASP . 2.5 mp -58.5 -36.55 73.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.549 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -45.78 93.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.611 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.21 -48.16 58.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.699 ' HA ' HD12 ' A' ' 748' ' ' ILE . 4.3 mt -60.75 -46.99 88.33 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.542 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 7.2 mtp -70.53 -29.74 66.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.81 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.85 -39.2 91.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 745' ' ' LEU . 4.2 mt -61.09 -47.57 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.056 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.81 -38.75 89.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -61.07 -26.27 67.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -56.92 -32.45 65.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.058 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -176.86 83.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.887 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.77 0.319 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.53 32.28 4.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.996 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 91.0 mt -149.2 -178.17 6.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -128.99 151.14 50.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -136.33 66.79 0.55 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.8 t -97.47 178.72 5.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.735 0.303 . . . . 0.0 111.032 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -134.09 176.8 8.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 26.3 p30 -98.97 31.56 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 14.7 m -146.98 161.47 40.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 720' ' ' LEU . 4.2 mm? -112.7 -51.23 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -80.08 -22.02 42.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.188 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 4.2 t -56.73 -24.92 53.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -64.13 -57.05 10.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.817 0.342 . . . . 0.0 110.695 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -68.24 -31.49 71.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.607 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 76.0 t -77.32 -32.49 18.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.056 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.11 -26.85 69.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.815 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 28.4 t -70.28 -30.8 44.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.094 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -91.92 -31.68 15.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -125.46 46.09 2.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -60.26 114.75 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -89.26 99.83 12.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 3.7 ttmt 63.14 145.11 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.45 115.19 4.19 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.558 2.172 . . . . 0.0 112.312 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -100.5 31.25 3.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.69 37.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -176.94 82.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . 0.62 ' HG2' HD13 ' A' ' 741' ' ' LEU . 14.2 ttm180 -71.69 -37.98 70.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.008 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -59.86 -30.69 69.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.06 -53.83 53.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -69.3 -36.33 76.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.818 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.62 HD13 ' HG2' ' A' ' 737' ' ' ARG . 5.1 mp -60.65 -39.71 89.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.65 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 12.8 mt -58.49 -36.27 73.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.645 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.9 -46.94 87.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.687 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.21 -48.15 58.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.28 -44.57 97.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.9 mmt -69.0 -29.9 68.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -61.08 -41.31 96.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 38.4 mm -62.86 -38.62 82.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.177 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 749' ' ' LEU . 0.2 OUTLIER -61.64 -36.51 80.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -67.7 -55.76 11.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 57.11 30.92 19.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -172.98 39.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 6.7 t30 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.249 -0.881 . . . . 0.0 110.915 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.89 0.376 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.28 135.83 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 11.1 mt -76.08 -178.88 4.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -80.54 -31.52 36.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -59.84 104.25 0.55 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 2.2 m -108.81 -38.18 5.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 61.4 154.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.822 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -66.39 -179.81 0.87 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.09 112.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.15 27.56 4.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -111.87 -21.99 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.238 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 54.2 p -57.26 -25.62 59.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.078 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.622 ' O ' HG23 ' A' ' 727' ' ' VAL . 2.7 m-20 -62.33 -56.78 15.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.666 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.25 -31.41 70.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.74 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 77.7 t -76.65 -33.0 21.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.211 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -69.03 -27.1 65.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.958 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 723' ' ' ASP . 21.5 t -59.71 -44.01 92.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -89.83 -31.35 17.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -95.76 45.75 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -175.66 107.33 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.939 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 1.6 t -154.61 94.49 1.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 734' ' ' TYR . 0.1 OUTLIER -114.81 87.33 14.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.51 -45.68 38.32 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.609 2.206 . . . . 0.0 112.24 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 732' ' ' LYS . 3.0 m-85 64.3 -78.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.974 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -150.09 145.59 26.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -63.06 -174.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.42 47.48 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.798 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -80.63 -30.51 36.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.4 -40.78 87.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -61.74 -34.02 75.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.806 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 68.0 mt -61.27 -39.68 91.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.679 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.33 -36.34 73.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.617 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.49 -46.72 88.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.697 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.44 -48.06 57.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.492 ' O ' HD12 ' A' ' 748' ' ' ILE . 3.5 mt -61.42 -44.14 97.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.515 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 47.3 mmm -67.95 -27.64 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -58.67 -34.38 71.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.946 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . 0.492 HD12 ' O ' ' A' ' 745' ' ' LEU . 5.5 mt -61.1 -45.61 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.56 -39.39 90.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.733 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -72.03 -47.54 51.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.839 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 61.09 92.83 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.828 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 61.56 76.77 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.96 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 9.3 m . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.882 0.373 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -83.08 -49.47 9.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 7.3 mt -106.02 91.95 3.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -76.25 -51.62 11.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 143.81 -128.6 3.38 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.53 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 1.9 m -104.28 -52.36 2.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 60.51 -177.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -138.35 148.05 44.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 2.3 m -79.12 -177.19 5.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.506 HD12 ' CD2' ' A' ' 721' ' ' TYR . 0.3 OUTLIER -83.21 -56.49 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . 0.506 ' CD2' HD12 ' A' ' 720' ' ' LEU . 21.6 m-85 -146.48 31.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 44.2 m -56.55 -24.61 48.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.03 -57.25 9.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.883 0.373 . . . . 0.0 110.71 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.28 -31.41 70.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.617 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 76.9 t -78.03 -31.6 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -59.32 -26.92 65.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.872 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.93 -30.37 23.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -86.75 -31.44 20.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -92.98 48.7 1.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -175.88 -41.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 32.7 m -108.19 83.47 1.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.1 148.63 13.51 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.26 -168.82 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.674 2.25 . . . . 0.0 112.31 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -149.51 31.7 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -83.79 -29.94 26.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 1.5 t60 62.55 114.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.98 37.29 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . 0.576 ' HA ' HD12 ' A' ' 741' ' ' LEU . 2.0 m-20 -69.47 -39.58 77.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -64.0 -40.01 95.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -60.26 -36.67 78.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 738' ' ' ASP . 12.2 mt -58.96 -41.88 88.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.774 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.491 ' HA ' HD12 ' A' ' 745' ' ' LEU . 87.8 mt -56.93 -34.12 67.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.482 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' ' 746' ' ' MET . 21.3 mm-40 -59.94 -47.52 85.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.528 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.68 -48.12 56.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.989 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.652 ' HA ' HD12 ' A' ' 748' ' ' ILE . 7.4 mt -56.86 -49.49 75.34 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.595 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 743' ' ' GLN . 2.9 ppp? -69.12 -37.26 78.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.722 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.24 -43.53 78.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.95 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 745' ' ' LEU . 4.6 mt -60.57 -51.53 72.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.023 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.409 ' HA ' HD12 ' A' ' 749' ' ' LEU . 10.8 tp -64.77 -37.49 87.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -96.63 32.04 2.15 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -58.11 -31.13 66.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -176.69 79.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.166 -0.921 . . . . 0.0 110.889 -179.965 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.742 0.306 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -62.86 111.63 2.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 14.2 mt -84.28 160.55 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -154.66 163.0 40.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 103.14 -82.07 0.38 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.421 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.43 122.34 6.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.739 0.304 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.13 31.57 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -106.77 -21.69 12.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 86.4 p -176.71 37.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.799 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.75 -46.94 6.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -98.92 29.81 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 46.8 p -56.95 -26.94 60.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.533 ' O ' HG23 ' A' ' 727' ' ' VAL . 3.6 t0 -62.63 -56.36 18.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.652 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -31.34 70.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.76 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 71.8 t -76.78 -33.69 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.123 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -65.86 -27.69 68.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 723' ' ' ASP . 28.5 t -63.09 -30.71 50.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -87.29 -31.5 20.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -98.77 30.23 3.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 20.8 p-10 -62.16 -175.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 1.8 p -106.3 90.27 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -58.44 109.88 2.17 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -53.09 -26.9 34.52 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.321 2.014 . . . . 0.0 112.363 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -59.3 98.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -90.66 -177.12 4.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -98.19 119.95 37.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.941 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -100.26 142.35 31.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . 0.747 ' O ' HD23 ' A' ' 742' ' ' LEU . 5.4 t70 -75.21 -43.46 51.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -57.75 -51.7 68.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -39.06 93.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.71 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.59 ' HG ' HD11 ' A' ' 745' ' ' LEU . 17.7 tp -60.34 -35.87 76.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.602 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 738' ' ' ASP . 3.8 mm? -59.9 -33.7 72.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.497 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -46.83 88.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.657 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.28 -48.1 58.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.59 HD11 ' HG ' ' A' ' 741' ' ' LEU . 5.4 mt -59.66 -47.54 85.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.549 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.4 mtm -66.99 -29.78 69.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.726 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -61.49 -47.15 86.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.852 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 41.0 mm -62.3 -48.06 90.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -39.81 92.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.799 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -71.87 -42.04 67.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 60.36 91.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.814 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -177.01 39.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.939 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.755 0.312 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -152.61 80.12 1.22 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 14.7 mt -152.9 101.96 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -141.21 132.72 26.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -156.01 122.97 1.26 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 70.3 m -140.73 144.67 35.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.81 0.338 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -104.6 108.72 20.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -160.12 124.72 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.86 85.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.92 -61.19 2.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -154.37 88.83 1.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 20.5 m -55.92 -26.0 45.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.574 ' O ' HG23 ' A' ' 727' ' ' VAL . 2.0 m-20 -62.23 -57.24 12.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.994 0.426 . . . . 0.0 110.752 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.13 -31.57 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.715 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 72.8 t -76.43 -32.68 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -68.96 -26.99 65.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.845 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 723' ' ' ASP . 21.5 t -58.86 -30.73 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.206 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -87.85 -33.85 18.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.779 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -111.62 38.51 2.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -59.63 143.47 50.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.945 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 4.3 m 60.77 109.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -128.88 87.15 55.47 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.32 138.33 55.61 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.559 2.172 . . . . 0.0 112.322 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -167.89 -43.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.29 126.16 26.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.841 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -130.32 -47.22 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . 0.474 ' O ' HD23 ' A' ' 741' ' ' LEU . 1.3 mpt_? -75.44 95.9 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -60.13 -31.33 69.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.21 -50.47 73.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -60.1 -40.34 89.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 737' ' ' ARG . 4.4 mm? -58.26 -38.86 77.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.708 179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.411 ' HA ' HD12 ' A' ' 745' ' ' LEU . 0.5 OUTLIER -58.67 -32.35 69.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.514 179.633 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -62.17 -48.39 80.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.675 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.62 -48.07 56.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.157 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.725 ' HA ' HD12 ' A' ' 748' ' ' ILE . 5.9 mt -57.22 -49.37 76.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.619 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -36.09 76.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.702 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.75 -39.72 71.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 745' ' ' LEU . 4.8 mt -60.42 -51.47 72.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.72 -39.93 93.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -61.18 -35.26 76.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.18 -49.21 78.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -86.74 53.15 2.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.998 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.314 -0.85 . . . . 0.0 110.849 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 88.0 p . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.828 0.347 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.09 109.68 21.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 48.7 mt -106.54 89.59 3.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -107.59 -40.17 5.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -154.09 -85.51 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.521 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 57.8 m 62.93 -79.61 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.658 0.266 . . . . 0.0 111.016 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -68.7 91.71 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.829 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -126.33 59.06 1.35 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 11.6 p 59.31 109.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.81 -73.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -119.94 30.67 6.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 12.1 t -57.15 -25.05 58.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.087 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 727' ' ' VAL . 1.7 t70 -61.83 -57.01 13.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 110.752 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.31 -31.44 70.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.689 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 72.2 t -76.32 -32.59 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -67.41 -27.04 66.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 723' ' ' ASP . 30.7 t -59.41 -30.31 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.105 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -81.92 -31.25 31.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -64.3 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.858 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 2.3 t30 60.32 -169.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.71 114.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt 60.98 75.18 0.47 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.75 -168.04 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.64 2.227 . . . . 0.0 112.344 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -135.34 29.41 3.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 21.1 mttt 58.46 30.99 20.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -142.95 127.7 18.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . 0.509 ' O ' HD13 ' A' ' 741' ' ' LEU . 16.4 mtm180 -154.13 80.83 1.13 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . 0.618 ' O ' HD12 ' A' ' 742' ' ' LEU . 7.9 t70 -60.21 -31.21 69.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -59.93 -48.6 81.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.34 -33.09 73.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 737' ' ' ARG . 10.6 mp -61.07 -42.11 97.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.696 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 738' ' ' ASP . 4.4 mp -56.88 -36.36 70.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.666 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -47.79 84.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.529 179.616 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . 0.402 ' O ' HD12 ' A' ' 748' ' ' ILE . . . -70.52 -48.07 57.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.528 ' HA ' HD12 ' A' ' 748' ' ' ILE . 6.1 mt -57.94 -47.21 83.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.539 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -67.79 -38.58 83.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.694 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -60.02 -46.19 90.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 745' ' ' LEU . 4.9 mt -61.9 -49.82 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.74 -38.71 88.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -60.12 -36.24 77.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -60.43 -42.16 95.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.817 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 60.62 89.22 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.946 -179.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.435 0 CA-C-O 120.847 0.356 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -139.84 32.02 2.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.439 HD13 ' OD1' ' A' ' 747' ' ' ASP . 15.8 mt -153.31 157.71 40.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.949 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -86.76 107.71 18.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -61.22 -36.51 92.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 70.7 m 60.35 166.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.94 87.98 6.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -120.37 31.92 6.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 4.9 p -106.02 31.56 5.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.82 43.19 1.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . 0.501 ' CE2' ' CG ' ' A' ' 724' ' ' TYR . 0.7 OUTLIER 49.76 27.88 2.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.253 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 2.4 m -58.53 -24.76 61.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.067 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.863 ' O ' HG23 ' A' ' 727' ' ' VAL . 1.8 m-20 -63.0 -56.4 17.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.844 0.354 . . . . 0.0 110.725 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . 0.501 ' CG ' ' CE2' ' A' ' 721' ' ' TYR . 0.6 OUTLIER -68.3 -31.2 70.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.711 179.862 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 78.8 t -77.72 -32.27 17.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -76.09 -26.78 56.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.223 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 723' ' ' ASP . 25.9 t -83.24 -25.23 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.386 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -101.72 -31.39 10.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.064 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -98.36 31.24 2.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . 0.7 ' O ' HG23 ' A' ' 731' ' ' THR . 7.6 p30 -69.91 66.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.939 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 730' ' ' ASN . 0.7 OUTLIER -170.14 116.31 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -157.38 89.19 2.5 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.823 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.24 147.65 72.89 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.518 2.145 . . . . 0.0 112.26 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 3.6 t80 60.21 68.88 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.791 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -163.51 -43.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 1.1 m80 65.78 -76.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 61.48 40.56 13.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . 0.616 ' O ' HD12 ' A' ' 742' ' ' LEU . 1.0 OUTLIER -78.02 -36.54 48.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -60.02 -50.18 74.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -60.86 -31.17 70.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.82 HD12 HD11 ' A' ' 745' ' ' LEU . 0.2 OUTLIER -63.32 -40.49 97.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.584 179.808 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.616 HD12 ' O ' ' A' ' 738' ' ' ASP . 4.2 mp -58.19 -35.42 71.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.599 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.09 -46.69 89.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.1 58.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.035 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.82 HD11 HD12 ' A' ' 741' ' ' LEU . 3.7 mt -60.19 -46.63 89.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.54 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 81.0 mtp -68.16 -28.81 67.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . 0.439 ' OD1' HD13 ' A' ' 713' ' ' LEU . 35.3 t70 -59.69 -34.25 72.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 39.7 mt -62.96 -48.05 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.075 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.73 -39.37 91.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -61.8 -56.84 15.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -61.42 -31.42 71.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.972 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 60.74 82.06 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 15.9 m120 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.901 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.847 0.356 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.68 36.42 2.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 7.5 mt 60.29 47.24 9.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 61.17 159.06 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -96.82 -63.69 0.92 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 5.2 m 60.68 162.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -143.24 97.59 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.97 167.08 10.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 1.7 m -86.35 94.37 9.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.77 79.52 1.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 724' ' ' TYR . 0.2 OUTLIER 48.71 51.89 14.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.279 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 2.9 m -57.43 -23.26 48.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -58.22 -57.68 11.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 110.877 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . 0.44 ' HB3' ' CD2' ' A' ' 721' ' ' TYR . 0.4 OUTLIER -68.25 -31.52 71.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.702 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 93.5 t -74.53 -30.45 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.116 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -58.39 -26.96 63.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 27.8 t -62.65 -38.58 81.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -88.5 -31.62 18.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -64.6 -31.49 72.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -176.18 112.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 17.7 p -62.04 160.97 11.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.57 158.8 33.11 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.22 176.97 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.599 2.199 . . . . 0.0 112.293 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -152.26 -66.14 0.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -113.4 -37.14 4.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.14 104.22 16.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -131.03 -66.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -66.6 -31.2 71.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.2 -41.97 94.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -38.42 83.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.14 -38.74 80.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.68 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.92 -33.98 71.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.573 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 43.7 mm-40 -62.06 -47.6 83.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.752 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.05 58.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.512 ' HA ' HD12 ' A' ' 748' ' ' ILE . 4.1 mt -60.77 -44.93 96.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.606 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 25.2 mmm -69.32 -29.83 67.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -60.55 -44.28 96.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . 0.512 HD12 ' HA ' ' A' ' 745' ' ' LEU . 4.4 mt -61.66 -50.06 81.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 7.6 mt -61.73 -38.94 89.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.979 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -56.46 21.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.45 -32.79 71.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 60.44 90.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 3.6 m120 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.946 -179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.886 0.374 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 2.2 tttp 60.52 93.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.963 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 24.7 mt -101.72 107.51 18.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -154.41 117.7 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 173.79 -175.74 46.37 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.08 32.13 20.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -147.14 79.42 1.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.05 149.39 35.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 10.1 t -150.76 34.67 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.63 -58.1 3.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -131.16 70.86 1.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.46 -25.12 49.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.0 -57.33 8.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.718 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . 0.404 ' CZ ' ' CE1' ' A' ' 728' ' ' PHE . 0.7 OUTLIER -68.2 -31.41 70.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.702 179.783 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.08 -31.55 16.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.037 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.07 -26.98 65.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.72 -27.93 32.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . 0.404 ' CE1' ' CZ ' ' A' ' 724' ' ' TYR . 48.6 m-85 -78.35 -27.73 47.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -57.77 -33.51 68.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 60.04 -169.78 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 65.6 m -82.15 -52.47 6.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 72.6 mttt -141.51 156.09 66.89 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.08 -24.65 27.97 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.503 2.135 . . . . 0.0 112.349 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 65.25 -77.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.936 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 4.8 tptt -148.83 31.72 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 3.8 m80 60.17 91.97 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . 0.76 ' O ' HD23 ' A' ' 741' ' ' LEU . 6.4 ttp85 -99.69 36.12 1.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -66.45 -46.16 77.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.88 -50.1 65.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -60.27 -33.02 71.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.76 HD23 ' O ' ' A' ' 737' ' ' ARG . 1.2 mm? -60.66 -42.79 97.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.822 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 13.8 mt -57.2 -35.67 69.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.691 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.91 -47.39 83.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.642 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.21 -48.1 58.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.502 ' O ' HD23 ' A' ' 749' ' ' LEU . 3.6 mt -60.58 -45.4 94.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.683 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -30.58 69.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -62.09 -48.71 78.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.56 -43.04 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.048 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 745' ' ' LEU . 4.3 mm? -61.8 -36.2 80.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 43.1 m-20 -60.24 -54.83 41.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -60.82 -59.55 5.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 60.52 81.72 0.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.813 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.924 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.875 0.369 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -80.88 103.45 10.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 14.6 mt -150.31 -177.76 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.17 -65.9 0.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 96.28 -28.63 12.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . 0.811 ' OG ' HD23 ' A' ' 720' ' ' LEU . 47.9 t -59.99 105.14 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -130.97 125.28 32.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 14.4 t0 61.21 86.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 22.3 t 60.67 157.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.811 HD23 ' OG ' ' A' ' 716' ' ' SER . 0.3 OUTLIER -133.02 -65.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . 0.418 ' CD2' ' HB3' ' A' ' 724' ' ' TYR . 0.8 OUTLIER -126.02 27.25 6.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.014 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -23.95 62.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.137 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . 0.624 ' O ' HG23 ' A' ' 727' ' ' VAL . 5.5 t0 -62.17 -57.1 12.75 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.899 0.38 . . . . 0.0 110.82 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . 0.418 ' HB3' ' CD2' ' A' ' 721' ' ' TYR . 0.5 OUTLIER -68.21 -31.47 71.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.681 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 76.7 t -76.65 -33.05 21.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.069 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -68.98 -27.43 65.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 723' ' ' ASP . 21.7 t -59.48 -30.76 45.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -87.3 -31.76 20.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -111.84 35.43 3.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 27.6 t30 -59.72 168.53 1.67 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.34 163.55 32.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.63 81.57 13.31 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.985 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.68 -61.43 0.53 Allowed 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.497 2.131 . . . . 0.0 112.355 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -139.48 34.89 2.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -130.78 170.12 14.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -166.05 -179.71 5.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -135.51 39.03 2.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -59.48 -33.7 71.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.97 -36.93 78.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -34.84 70.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 5.7 mp -60.56 -40.76 92.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.657 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 742' ' ' LEU . 15.4 mt -58.04 -36.42 72.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.675 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.99 -46.46 89.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.617 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.32 -48.09 58.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 3.4 mt -61.75 -44.5 96.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.649 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 53.9 mtp -71.31 -29.29 64.84 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.861 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -60.24 -34.9 74.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 39.9 mt -63.54 -47.56 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -39.39 91.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -60.87 -56.95 15.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -61.83 -33.41 74.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.815 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 59.87 49.04 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.961 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 56.8 p . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.89 0.376 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.67 174.58 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 17.5 mt -74.01 145.59 44.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 68.6 -67.87 0.19 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.044 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 94.32 169.98 37.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.393 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 11.8 t -77.44 -42.92 34.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 110.928 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -149.41 35.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 62.03 150.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 3.5 m -74.74 147.67 41.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.22 -43.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -155.37 43.71 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.49 -26.8 33.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -60.95 -57.36 12.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.347 . . . . 0.0 110.705 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.3 -31.38 70.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.738 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 75.8 t -75.8 -31.23 22.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -58.85 -26.99 64.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.88 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . 0.59 HG12 HG21 ' A' ' 731' ' ' THR . 21.4 t -60.52 -26.78 38.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.205 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -75.8 -23.28 55.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.137 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -55.11 -29.39 57.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.038 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . 0.486 ' O ' HG23 ' A' ' 731' ' ' THR . 12.2 p30 -176.06 118.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.953 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . 0.59 HG21 HG12 ' A' ' 727' ' ' VAL . 0.6 OUTLIER -162.49 -70.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -58.83 109.64 2.03 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.45 -41.17 3.59 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.424 2.083 . . . . 0.0 112.358 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -81.04 97.93 7.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . 0.506 ' HB2' HD11 ' A' ' 741' ' ' LEU . 0.4 OUTLIER -126.04 176.53 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 45.4 m-70 -60.47 -37.35 80.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 21.2 mmt-85 -117.41 91.11 3.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -66.98 -34.11 77.03 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -65.55 -46.24 80.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -60.39 -34.5 73.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 735' ' ' LYS . 13.8 mt -60.87 -39.87 90.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.74 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 54.3 mt -58.55 -36.06 73.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.655 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -46.33 89.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.705 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.19 -48.24 58.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . 0.593 ' HA ' HD12 ' A' ' 748' ' ' ILE . 3.4 mt -61.72 -44.61 96.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.593 179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 7.9 mtt -71.14 -29.95 65.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.38 -42.56 98.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . 0.593 HD12 ' HA ' ' A' ' 745' ' ' LEU . 4.6 mt -61.32 -46.19 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.065 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.77 -31.14 71.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -60.22 -31.02 69.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -86.43 52.88 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.061 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -177.32 80.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.884 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 29.7 m . . . . . 0 N--CA 1.485 1.3 0 CA-C-O 120.89 0.376 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.17 -33.66 7.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . . . . . . . . . 24.1 mt -107.75 150.24 27.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -106.18 102.82 12.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . 166.6 -123.82 1.17 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 10.8 t -176.42 109.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.807 0.337 . . . . 0.0 110.998 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.32 -174.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -134.64 79.5 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.34 121.36 44.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.76 -67.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -110.56 -22.5 11.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.86 -27.84 53.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.062 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -62.1 -55.99 23.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.882 0.372 . . . . 0.0 110.676 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.26 -31.42 70.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.688 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 79.5 t -76.61 -31.91 20.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.025 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -59.14 -26.95 65.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 21.4 t -78.53 -30.49 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.191 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -90.77 -31.09 16.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -138.31 77.06 1.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -60.61 -31.6 70.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 2.7 t -119.78 107.4 13.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -166.49 68.52 1.05 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.984 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -56.04 85.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.6 2.2 . . . . 0.0 112.353 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 56.17 28.52 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 3.8 tttp 58.47 33.6 23.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.004 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 60.48 86.7 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -174.74 101.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.82 -35.56 77.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.983 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -60.3 -30.67 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 8.8 tpp85 -59.47 -34.26 72.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.14 -42.61 95.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.767 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 10.0 mp -57.6 -34.05 68.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.607 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -63.08 -47.28 83.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.64 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.25 -48.12 58.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.4 mt -60.43 -45.66 92.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.608 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . 0.418 ' HA ' HD21 ' A' ' 749' ' ' LEU . 14.0 mtt -68.85 -28.64 66.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.863 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -62.39 -41.25 98.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 35.1 mm -64.28 -51.6 66.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.176 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 750' ' ' ASN . 4.4 pp -68.43 -31.41 70.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . 0.57 ' N ' HD12 ' A' ' 749' ' ' LEU . 3.7 m120 -62.71 -30.17 71.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -160.25 88.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -86.08 52.94 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 5.2 t30 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.875 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.879 0.371 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 712' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -142.41 119.55 11.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 713' ' ' LEU . . . . . 0.45 HD13 HD21 ' A' ' 720' ' ' LEU . 14.9 mt -105.65 132.01 52.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 714' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -95.64 -48.91 5.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 715' ' ' GLY . . . . . . . . . . . . . . . -85.58 152.23 26.13 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 716' ' ' SER . . . . . . . . . . . . . 77.9 p -106.19 127.04 52.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 110.962 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -166.71 156.18 11.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 718' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.45 39.43 18.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 719' ' ' SER . . . . . . . . . . . . . 20.3 m 60.94 87.62 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 720' ' ' LEU . . . . . 0.45 HD21 HD13 ' A' ' 713' ' ' LEU . 0.2 OUTLIER -99.26 31.12 3.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 721' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -105.86 -25.96 11.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 722' ' ' SER . . . . . . . . . . . . . 1.5 m -60.26 -22.71 63.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.174 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 723' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.78 -58.0 8.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.821 0.344 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 724' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -31.5 71.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.68 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 725' ' ' VAL . . . . . . . . . . . . . 73.4 t -77.83 -32.06 17.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 726' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.47 -26.96 65.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.955 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.12 -31.02 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 728' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -89.81 -29.8 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 729' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -93.79 46.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 730' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -176.87 95.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.816 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 731' ' ' THR . . . . . . . . . . . . . 19.9 p -69.24 178.9 2.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 732' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -161.16 79.42 2.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 733' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.66 63.39 1.73 Allowed 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.608 2.206 . . . . 0.0 112.267 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 734' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -126.34 -47.93 1.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 735' ' ' LYS . . . . . . . . . . . . . 14.9 mttt 60.49 84.63 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 736' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -60.3 157.7 13.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 737' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -98.6 29.72 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 738' ' ' ASP . . . . . 0.413 ' HA ' HD12 ' A' ' 741' ' ' LEU . 2.9 m-20 -80.52 -34.64 35.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 739' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.26 -42.21 93.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.989 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 740' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -60.37 -34.06 73.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.778 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 741' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 738' ' ' ASP . 23.9 mt -61.42 -39.99 92.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.649 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 742' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.99 -36.22 72.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.684 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 743' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -46.56 90.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.593 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 744' ' ' ALA . . . . . . . . . . . . . . . -70.52 -48.11 57.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.016 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 745' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.47 -46.53 88.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.459 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 746' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -67.43 -37.26 82.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.666 179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 747' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -56.06 -49.32 74.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.95 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 748' ' ' ILE . . . . . . . . . . . . . 36.5 mm -64.48 -49.95 78.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.038 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 749' ' ' LEU . . . . . . . . . . . . . 96.6 mt -61.8 -40.29 94.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 750' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -60.63 -52.48 64.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 751' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -60.47 -31.54 70.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 752' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 60.64 79.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 753' ' ' ASN . . . . . . . . . . . . . 25.3 t30 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.838 -179.975 . . . . . . . . 0 0 . 1 stop_ save_