data_5ks5_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 5ks5 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . 0.429 ' HH ' ' HD2' ' A' ' 705' ' ' LYS . 7.1 p90 . . . . . 0 C--O 1.226 -0.17 0 N-CA-C 111.747 0.277 . . . . 1.2 111.747 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 61.0 mtt -73.32 -36.98 66.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.801 0.334 . . . . 1.59 110.23 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 52.9 ttp -68.31 -46.75 69.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.721 -0.474 . . . . 1.59 109.721 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.98 -36.88 85.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.426 -0.806 . . . . 1.45 110.916 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -78.76 -32.09 46.46 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.688 0.28 . . . . 1.05 110.466 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 674' ' ' MET . 12.9 tpp180 -65.38 -44.43 87.59 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.678 -0.49 . . . . 3.87 109.678 176.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . 0.458 ' O ' HD23 ' A' ' 675' ' ' LEU . 34.7 tt0 -66.11 -42.58 89.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.492 -0.559 . . . . 1.89 109.492 176.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.15 -40.01 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 1.05 111.126 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.56 -39.06 91.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.922 -0.581 . . . . 1.76 109.924 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 674' ' ' MET . . . . . 0.442 ' HG3' ' O ' ' A' ' 670' ' ' ARG . 61.0 mtt -66.36 -29.45 69.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.819 -0.628 . . . . 1.39 110.66 176.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 671' ' ' GLU . 4.6 mm? -85.72 -14.66 44.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.769 0.319 . . . . 1.22 110.499 177.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 36.0 t80 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.317 -0.401 . . . . 0.99 110.801 -179.155 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 C--O 1.233 0.235 0 N-CA-C 109.553 -0.536 . . . . 1.68 109.553 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -53.39 -31.42 57.36 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.961 2.441 . . . . 0.48 113.584 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -69.66 -55.18 10.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.554 -0.294 . . . . 2.21 110.385 -176.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -67.42 -34.34 77.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.725 -0.472 . . . . 3.76 109.725 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 17.2 t -55.62 -50.77 69.28 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.683 -0.69 . . . . 1.54 110.326 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.34 -35.63 82.73 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.374 -0.917 . . . . 0.2 112.5 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -65.19 -36.78 85.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.155 0.502 . . . . 1.54 110.487 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 38.1 mt -73.53 -38.3 65.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.258 -0.428 . . . . 1.91 110.687 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -69.32 -34.62 74.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.692 -0.231 . . . . 1.56 111.554 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 21.9 p -69.87 -39.65 76.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.915 0.388 . . . . 1.1 110.173 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -65.27 -42.19 93.46 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.01 -0.541 . . . . 2.83 109.89 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.83 89.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.821 -0.627 . . . . 1.05 110.795 177.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.6 91.64 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.475 0.179 . . . . 1.05 110.901 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . 0.406 ' HA ' ' HE3' ' A' ' 701' ' ' MET . 43.7 mt-10 -59.18 -46.81 87.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 1.84 110.171 177.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' ' 665' ' ' TYR . . . -70.77 -29.14 65.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.807 -0.633 . . . . 1.06 110.974 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.48 -48.84 37.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 1.03 111.172 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 701' ' ' MET . . . . . 0.406 ' HE3' ' HA ' ' A' ' 698' ' ' GLU . 26.6 ptt? -69.02 -23.23 64.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.024 0.44 . . . . 1.32 110.05 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -69.57 -33.05 72.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.822 -0.626 . . . . 2.58 109.994 174.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -87.6 19.43 3.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.666 -0.697 . . . . 1.11 111.152 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 77.9 mtp 68.07 13.57 9.14 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.744 -0.662 . . . . 3.04 111.564 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . 0.429 ' HD2' ' HH ' ' A' ' 665' ' ' TYR . 55.1 mttm -106.61 85.1 2.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.194 0.521 . . . . 2.07 111.233 -178.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -63.75 -35.17 91.67 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.43 -0.804 . . . . 0.61 113.495 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . 0.414 ' NE ' ' HA ' ' A' ' 707' ' ' ARG . 5.1 tpm_? -60.24 -46.18 90.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.067 0.433 . . . . 4.54 110.745 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 44.3 mt -65.08 -45.26 85.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 1.6 110.597 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.09 -43.76 82.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.972 -0.558 . . . . 1.05 110.489 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -62.49 -49.91 73.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.485 -0.78 . . . . 1.99 111.052 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -61.79 -49.76 75.05 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.673 0.249 . . . . 1.83 111.673 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -60.51 -34.29 73.87 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.895 -0.322 . . . . 0.98 111.266 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -72.18 -37.1 69.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.597 -0.52 . . . . 3.39 109.597 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.28 -31.38 70.18 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.467 -0.788 . . . . 2.55 109.798 174.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -84.71 -31.18 24.2 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.246 -0.888 . . . . 2.17 108.761 -174.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.54 94.82 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.359 -0.837 . . . . 1.05 109.911 175.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -65.48 -43.97 88.58 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.64 -0.709 . . . . 2.16 110.312 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -57.85 -43.22 85.74 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.794 0.331 . . . . 2.2 110.935 176.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.07 -49.91 70.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.863 -0.608 . . . . 1.07 110.927 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 41.1 m0 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.396 -0.366 . . . . 0.56 111.432 179.839 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 4.5 p90 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.731 0.3 . . . . 1.2 111.673 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 68.4 mtt -73.26 -36.02 66.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.025 0.441 . . . . 1.59 109.954 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 667' ' ' MET . . . . . 0.439 ' HE3' HD13 ' A' ' 668' ' ' LEU . 10.4 tmm? -71.38 -45.97 61.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.93 -0.767 . . . . 1.59 108.93 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.439 HD13 ' HE3' ' A' ' 667' ' ' MET . 10.5 mp -59.47 -39.12 82.67 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.829 -0.623 . . . . 1.45 110.733 176.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -74.24 -34.97 63.82 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 120.887 0.375 . . . . 1.05 110.336 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -65.17 -41.89 94.22 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.179 -0.464 . . . . 3.87 109.864 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . 0.479 ' O ' HD22 ' A' ' 675' ' ' LEU . 37.4 tt0 -64.99 -43.94 90.92 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.953 -0.758 . . . . 1.89 108.953 177.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.74 73.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 1.05 111.319 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.02 -39.35 87.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 1.76 110.536 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 72.4 mtm -71.34 -23.65 61.96 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-O 120.78 0.324 . . . . 1.39 110.572 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.479 HD22 ' O ' ' A' ' 671' ' ' GLU . 3.5 mm? -82.78 -27.5 30.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.568 -0.287 . . . . 1.22 110.629 176.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . 0.461 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 32.9 t80 . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 120.709 0.29 . . . . 0.99 111.009 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 . . . . . 0 C--O 1.235 0.337 0 N-CA-C 110.254 -0.276 . . . . 1.68 110.254 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -52.3 -31.47 46.95 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.909 2.406 . . . . 0.48 113.286 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -55.1 19.19 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.523 -0.547 . . . . 2.21 109.523 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -67.77 -29.4 68.59 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.004 -0.543 . . . . 3.76 109.832 -177.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 689' ' ' SER . . . . . 0.461 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 23.1 t -56.0 -51.51 67.51 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.065 -0.516 . . . . 1.54 110.302 175.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.29 -31.74 68.75 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.053 -1.07 . . . . 0.2 111.73 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . 0.563 ' O ' ' HG2' ' A' ' 695' ' ' GLN . 18.1 t70 -60.15 -49.15 78.79 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 109.426 -0.583 . . . . 1.54 109.426 176.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.06 -35.94 79.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.659 -0.701 . . . . 1.91 111.418 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.62 -35.62 77.54 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.707 -0.397 . . . . 1.56 111.238 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 4.8 p -72.14 -38.73 69.16 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.389 -0.525 . . . . 1.1 110.302 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' ' 691' ' ' ASP . 17.0 mm100 -63.77 -41.9 97.89 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.443 -0.577 . . . . 2.83 109.443 175.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -62.88 -40.08 96.42 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.587 -0.733 . . . . 1.05 110.778 176.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.16 82.64 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.624 0.25 . . . . 1.05 110.342 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.69 -51.93 66.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.91 -0.404 . . . . 1.84 109.91 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -63.75 -27.81 69.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 1.06 110.896 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.36 -51.08 18.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.178 -0.464 . . . . 1.03 110.733 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -66.71 -33.02 74.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.614 -0.266 . . . . 1.32 110.886 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -73.89 -26.25 60.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 2.58 110.552 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -88.7 17.2 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 1.11 110.93 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 74.4 mtp 64.64 27.47 13.22 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.861 -0.609 . . . . 3.04 111.576 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 708' ' ' LEU . 71.5 mmtt -106.33 74.08 1.01 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.736 0.303 . . . . 2.07 110.473 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -52.79 -50.95 47.72 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.718 -0.674 . . . . 0.61 113.627 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -59.35 -45.1 92.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.359 . . . . 4.54 111.305 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 705' ' ' LYS . 4.0 mm? -61.54 -47.32 86.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.5 . . . . 1.6 110.097 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.19 88.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.517 -0.765 . . . . 1.05 110.632 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -59.71 -53.69 55.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 1.99 109.855 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -55.17 -58.2 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.354 -0.839 . . . . 1.83 111.063 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -65.37 -31.53 72.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.141 0.423 . . . . 0.98 112.141 -174.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -70.27 -45.61 66.04 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.171 -0.677 . . . . 3.39 109.171 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -66.3 -24.46 66.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.309 -0.86 . . . . 2.55 110.345 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -81.1 -32.23 33.95 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.696 -0.853 . . . . 2.17 108.696 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.9 -49.39 72.86 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.866 -0.606 . . . . 1.05 109.469 171.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -54.23 -46.41 72.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.168 -0.924 . . . . 2.16 110.213 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.6 -44.71 95.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 2.2 110.809 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.35 -45.89 83.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 1.07 111.076 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 33.7 m0 . . . . . 0 C--N 1.326 -0.427 0 C-N-CA 120.78 -0.368 . . . . 0.56 111.775 179.041 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 7.7 p90 . . . . . 0 N--CA 1.456 -0.151 0 N-CA-C 111.984 0.364 . . . . 1.2 111.984 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 61.2 mtt -76.6 -40.02 50.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.768 0.318 . . . . 1.59 110.632 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -69.68 -42.67 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.956 -0.757 . . . . 1.59 108.956 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 7.1 mp -62.4 -39.56 93.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.234 -0.894 . . . . 1.45 110.78 177.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.18 -35.68 61.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 120.834 -0.347 . . . . 1.05 110.578 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 47.6 ttp85 -67.16 -38.07 84.85 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.508 -0.553 . . . . 3.87 109.508 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.72 -45.48 82.54 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.05 -0.722 . . . . 1.89 109.05 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -57.0 -39.15 74.15 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.804 -0.634 . . . . 1.05 111.064 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.13 -41.69 97.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 1.76 110.488 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 75.8 mtm -70.34 -24.53 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 1.39 110.429 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.557 HD12 ' NH1' ' A' ' 688' ' ' ARG . 3.5 mm? -80.21 -30.19 38.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.856 0.36 . . . . 1.22 110.842 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . 0.476 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 24.7 t80 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.461 -0.336 . . . . 0.99 111.473 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 16.6 t70 . . . . . 0 N--CA 1.457 -0.122 0 N-CA-C 110.355 -0.239 . . . . 1.68 110.355 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.7 -31.76 62.2 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.918 2.412 . . . . 0.48 113.066 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -66.73 -53.92 28.32 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 110.052 -0.351 . . . . 2.21 110.052 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . 0.557 ' NH1' HD12 ' A' ' 675' ' ' LEU . 25.3 ttm180 -68.48 -33.91 75.0 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.573 -0.528 . . . . 3.76 109.573 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 689' ' ' SER . . . . . 0.476 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 22.0 t -54.78 -53.14 59.05 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.08 -0.509 . . . . 1.54 110.262 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.05 -31.27 72.16 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.196 -1.002 . . . . 0.2 111.839 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.35 -45.29 93.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.196 0.522 . . . . 1.54 110.048 176.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 60.1 mt -71.4 -34.24 70.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.725 -0.671 . . . . 1.91 110.716 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -69.18 -37.31 78.09 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.978 -0.289 . . . . 1.56 111.393 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 8.3 p -73.37 -36.07 66.04 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.726 -0.39 . . . . 1.1 110.355 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -65.38 -41.49 93.7 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.178 -0.675 . . . . 2.83 109.178 174.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.16 96.39 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.643 -0.708 . . . . 1.05 110.814 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.04 -35.74 80.54 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.863 0.363 . . . . 1.05 110.142 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.06 -47.89 82.69 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.972 -0.558 . . . . 1.84 109.807 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.35 -27.25 66.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.018 0.437 . . . . 1.06 110.878 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.23 -49.36 35.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.161 -0.472 . . . . 1.03 110.723 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -68.22 -28.55 67.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.995 0.426 . . . . 1.32 109.946 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -65.55 -40.69 93.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.86 -0.609 . . . . 2.58 110.193 175.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -90.28 17.85 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.689 -0.687 . . . . 1.11 111.891 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 50.8 ttm 62.78 49.57 3.66 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.406 0.622 . . . . 3.04 110.777 176.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -124.94 85.07 2.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.198 -0.455 . . . . 2.07 110.066 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -60.54 -52.17 54.22 Favored Glycine 0 CA--C 1.518 0.276 0 CA-C-N 115.936 -0.575 . . . . 0.61 113.288 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 35.5 ttp85 -61.85 -39.06 90.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.986 0.393 . . . . 4.54 111.056 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.7 -49.07 74.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.456 -0.338 . . . . 1.6 110.142 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.74 -48.37 81.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.875 -0.602 . . . . 1.05 110.769 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -57.36 -52.65 64.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.972 -0.558 . . . . 1.99 110.329 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -55.14 -55.42 31.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.881 0.372 . . . . 1.83 111.301 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -62.5 -32.08 72.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.07 0.396 . . . . 0.98 112.07 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -72.57 -37.81 68.08 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.218 -0.593 . . . . 3.39 109.813 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -66.38 -27.63 68.01 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.657 0.741 . . . . 2.55 109.847 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -83.5 -32.13 26.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.11 -0.95 . . . . 2.17 109.108 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.32 -48.18 76.59 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 109.573 -0.529 . . . . 1.05 109.573 171.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -51.41 -52.61 44.53 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.219 -0.901 . . . . 2.16 110.141 173.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.34 -42.99 96.84 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.403 -0.362 . . . . 2.2 111.462 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.62 74.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.697 0.284 . . . . 1.07 111.064 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 32.9 m0 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.312 -0.404 . . . . 0.56 111.881 -179.231 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 1.6 p90 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.601 0.239 . . . . 1.2 111.371 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 55.7 mtt -71.76 -33.18 68.43 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.931 -0.308 . . . . 1.59 110.428 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 667' ' ' MET . . . . . 0.444 ' HG3' ' NH2' ' A' ' 670' ' ' ARG . 56.7 ttp -70.56 -45.06 66.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.045 0.45 . . . . 1.59 109.922 177.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.7 -36.16 82.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 1.45 110.552 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.98 -34.42 59.78 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.054 -0.35 . . . . 1.05 110.054 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . 0.444 ' NH2' ' HG3' ' A' ' 667' ' ' MET . 50.9 ttp180 -63.68 -45.32 90.64 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.96 -0.564 . . . . 3.87 109.77 175.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.51 -44.78 95.52 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.478 -0.783 . . . . 1.89 109.008 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.2 91.02 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.333 -0.848 . . . . 1.05 111.46 177.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.91 -40.03 94.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.982 0.42 . . . . 1.76 110.64 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 87.8 mtp -72.5 -28.45 62.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.139 -0.482 . . . . 1.39 110.643 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 29.6 mt -84.73 -17.14 39.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.628 -0.26 . . . . 1.22 111.594 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 34.8 t80 . . . . . 0 C--N 1.322 -0.592 0 C-N-CA 120.696 -0.402 . . . . 0.99 110.521 178.605 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 16.6 t70 . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 110.302 -0.258 . . . . 1.68 110.302 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.95 -32.88 59.58 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.245 2.63 . . . . 0.48 113.547 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -68.66 -51.14 45.21 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.746 -0.465 . . . . 2.21 109.746 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -63.51 -37.68 88.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.719 -0.673 . . . . 3.76 109.234 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 18.3 m -56.77 -50.25 72.86 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.904 -1.044 . . . . 1.54 110.883 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.66 -33.88 77.13 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.278 -0.963 . . . . 0.2 112.122 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 3.7 m-20 -60.96 -46.8 89.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 1.54 110.013 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 41.5 mt -69.43 -37.0 77.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.272 -0.422 . . . . 1.91 111.28 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -65.0 -38.48 91.11 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.954 -0.298 . . . . 1.56 111.221 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 12.7 p -72.43 -38.95 68.21 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.717 -0.393 . . . . 1.1 110.479 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 79.2 mt-30 -63.34 -43.37 97.91 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.296 0.57 . . . . 2.83 109.515 175.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.18 95.0 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.387 -0.824 . . . . 1.05 110.823 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.47 93.53 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.873 0.368 . . . . 1.05 110.7 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . 0.419 ' HA ' ' HE3' ' A' ' 701' ' ' MET . 36.7 tt0 -60.53 -45.57 93.37 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.873 -0.603 . . . . 1.84 109.781 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.15 69.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 1.06 111.042 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -69.53 -48.25 61.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.999 -0.546 . . . . 1.03 110.785 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 701' ' ' MET . . . . . 0.453 ' HB3' ' CB ' ' A' ' 709' ' ' ALA . 25.9 ptt? -72.08 -25.14 61.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.342 -0.39 . . . . 1.32 110.686 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.59 -29.31 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.171 0.51 . . . . 2.58 109.878 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -90.45 20.24 4.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.918 -0.583 . . . . 1.11 111.055 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 47.5 tpp 69.47 -2.84 1.77 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.521 0.677 . . . . 3.04 111.321 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -87.1 53.24 2.76 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.457 -0.571 . . . . 2.07 109.457 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -60.7 -24.7 62.54 Favored Glycine 0 C--O 1.226 -0.349 0 CA-C-N 115.483 -0.781 . . . . 0.61 113.567 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -62.63 -45.45 92.79 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.721 -0.474 . . . . 4.54 109.721 175.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.36 -44.12 95.87 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.753 -0.658 . . . . 1.6 109.839 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 701' ' ' MET . . . -55.45 -54.09 48.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.341 -0.845 . . . . 1.05 111.175 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -57.3 -43.81 83.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 1.99 110.536 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -57.73 -52.76 64.13 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.681 0.277 . . . . 1.83 111.197 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -61.16 -30.54 70.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.793 0.294 . . . . 0.98 111.793 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.51 -41.27 76.27 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.28 0.562 . . . . 3.39 109.864 173.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.28 -31.05 71.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.445 -0.798 . . . . 2.55 109.378 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -82.32 -37.27 26.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.229 -0.896 . . . . 2.17 108.83 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -61.63 -45.44 94.05 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.154 -0.475 . . . . 1.05 110.195 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.26 -42.04 99.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.759 -0.655 . . . . 2.16 109.61 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.4 -43.79 92.91 Favored 'General case' 0 C--N 1.335 -0.053 0 CA-C-N 116.199 -0.455 . . . . 2.2 110.743 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.08 -51.27 66.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 1.07 110.925 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 24.2 m0 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 0.56 112.044 179.85 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 30.9 p90 . . . . . 0 C--O 1.223 -0.306 0 CA-C-O 120.565 0.222 . . . . 1.2 111.179 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 58.0 mtt -71.57 -37.33 71.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.105 0.479 . . . . 1.59 110.045 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 53.3 ttp -69.47 -44.36 71.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.002 -0.545 . . . . 1.59 109.561 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.7 -33.05 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.724 -0.671 . . . . 1.45 110.926 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.39 -32.38 54.79 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 110.061 -0.348 . . . . 1.05 110.061 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -63.44 -42.66 98.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.196 0.522 . . . . 3.87 109.628 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -64.2 -46.9 81.86 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.874 -0.788 . . . . 1.89 108.874 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . 0.423 ' HB3' ' HB3' ' A' ' 692' ' ' LEU . . . -56.65 -40.74 75.99 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.385 -0.825 . . . . 1.05 111.136 176.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -62.46 -44.02 97.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 1.76 110.073 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.1 mtm -67.95 -27.31 66.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.524 . . . . 1.39 111.071 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.05 -26.61 26.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.62 0.248 . . . . 1.22 111.109 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 50.2 t80 . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.555 -0.293 . . . . 0.99 111.233 -177.281 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 N--CA 1.456 -0.148 0 N-CA-C 109.485 -0.561 . . . . 1.68 109.485 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -52.42 -30.84 45.37 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.211 2.608 . . . . 0.48 113.763 -176.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . 0.421 ' HA ' ' HE1' ' A' ' 720' ' ' TRP . 0.9 OUTLIER -72.26 -50.15 29.48 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.835 -0.431 . . . . 2.21 109.835 -177.447 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -68.58 -31.84 71.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.448 -0.575 . . . . 3.76 109.448 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 20.1 m -54.85 -51.12 66.91 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.443 -0.799 . . . . 1.54 110.124 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.5 -32.88 75.72 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.261 -0.971 . . . . 0.2 112.077 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -59.17 -51.27 70.72 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.089 0.471 . . . . 1.54 109.742 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . 0.423 ' HB3' ' HB3' ' A' ' 672' ' ' ALA . 3.2 mm? -69.5 -34.49 74.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 1.91 111.364 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -68.5 -39.1 81.4 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.809 -0.356 . . . . 1.56 111.333 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 13.2 p -71.65 -37.22 70.85 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.621 -0.432 . . . . 1.1 110.085 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -67.3 -37.71 83.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 2.83 110.12 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -63.46 -38.91 92.97 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.306 -0.406 . . . . 1.05 110.605 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.9 -36.0 79.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.925 0.393 . . . . 1.05 110.037 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.8 -45.77 92.4 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.786 -0.643 . . . . 1.84 109.9 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.8 -28.85 67.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.181 0.515 . . . . 1.06 110.684 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.63 -48.88 52.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.831 -0.622 . . . . 1.03 110.283 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -70.19 -25.25 63.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 1.32 110.23 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.96 -42.94 89.27 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.305 0.574 . . . . 2.58 109.87 171.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -82.43 17.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.46 -0.791 . . . . 1.11 111.13 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 98.1 mmm 57.61 44.62 20.54 Favored 'General case' 0 CA--C 1.523 -0.084 0 CA-C-N 115.746 -0.661 . . . . 3.04 110.505 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -122.23 78.02 1.45 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.491 -0.777 . . . . 2.07 109.633 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -64.12 -40.16 97.83 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.397 -0.82 . . . . 0.61 113.495 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -66.51 -43.43 85.27 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 117.262 0.531 . . . . 4.54 110.492 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.11 -45.46 94.59 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.004 -0.544 . . . . 1.6 109.857 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -56.74 -46.96 81.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.284 -0.871 . . . . 1.05 110.789 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -58.45 -50.1 74.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 1.99 110.872 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . 0.458 ' O ' ' HB3' ' A' ' 714' ' ' GLN . 8.5 tt0 -59.43 -54.55 45.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.78 0.324 . . . . 1.83 111.697 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -62.13 -32.12 72.67 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.652 -0.419 . . . . 0.98 111.557 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -71.26 -36.37 71.72 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.277 -0.638 . . . . 3.39 109.277 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . 0.458 ' HB3' ' O ' ' A' ' 711' ' ' GLN . 3.2 tt0 -60.49 -35.18 75.32 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.535 -0.757 . . . . 2.55 110.377 173.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -81.98 -30.24 31.72 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.882 -0.784 . . . . 2.17 108.882 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.54 -51.45 59.8 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.033 -0.53 . . . . 1.05 110.229 173.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -58.33 -46.04 86.94 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.564 -0.743 . . . . 2.16 110.113 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.64 -41.16 97.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 2.2 110.758 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.16 -53.5 57.39 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.438 -0.346 . . . . 1.07 110.916 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . 0.421 ' HE1' ' HA ' ' A' ' 687' ' ' GLN . 22.4 m0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.449 -0.341 . . . . 0.56 111.425 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . 0.456 ' CE2' ' HG3' ' A' ' 666' ' ' MET . 32.2 p90 . . . . . 0 C--O 1.227 -0.096 0 CA-C-O 120.601 0.239 . . . . 1.2 110.868 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.456 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 67.4 mtt -70.7 -37.05 73.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.96 0.409 . . . . 1.59 109.959 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 58.7 ttp -69.6 -46.79 65.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.693 -0.685 . . . . 1.59 109.758 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.14 -35.42 81.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.537 -0.756 . . . . 1.45 110.965 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.63 -32.27 57.92 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.842 0.353 . . . . 1.05 110.322 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -64.71 -42.24 95.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.747 -0.464 . . . . 3.87 109.747 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . 0.404 ' O ' HD23 ' A' ' 675' ' ' LEU . 25.2 tt0 -65.63 -44.88 85.08 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.872 -0.604 . . . . 1.89 109.416 177.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . 0.433 ' HB1' ' HB3' ' A' ' 692' ' ' LEU . . . -53.8 -43.52 69.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.99 -0.55 . . . . 1.05 111.616 175.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.07 -37.7 86.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.957 0.408 . . . . 1.76 110.13 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.4 mtm -73.18 -22.88 60.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 1.39 110.813 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 671' ' ' GLU . 3.8 mm? -86.33 -13.71 45.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.107 0.479 . . . . 1.22 110.082 177.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 115.829 -0.623 . . . . 0.99 111.474 -176.569 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 31.9 t70 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.649 -0.5 . . . . 1.68 109.649 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.71 -28.81 31.19 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.138 2.559 . . . . 0.48 113.325 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -67.51 -51.26 53.14 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 110.092 -0.336 . . . . 2.21 110.092 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -69.43 -32.61 71.68 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.728 -0.471 . . . . 3.76 109.728 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 17.3 t -54.69 -49.97 69.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.001 -0.545 . . . . 1.54 110.133 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -71.45 -29.48 68.03 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.359 -0.924 . . . . 0.2 111.713 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.99 -39.29 93.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.288 0.566 . . . . 1.54 109.805 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . 0.433 ' HB3' ' HB1' ' A' ' 672' ' ' ALA . 3.8 mm? -76.61 -35.59 58.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.005 -0.543 . . . . 1.91 111.065 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -66.32 -36.32 82.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.714 0.292 . . . . 1.56 111.072 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 17.4 p -71.99 -37.23 69.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.844 0.354 . . . . 1.1 110.241 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.51 -42.89 86.64 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.179 -0.464 . . . . 2.83 110.023 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.56 87.32 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.829 -0.623 . . . . 1.05 110.727 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.63 -36.38 82.45 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 120.776 0.322 . . . . 1.05 110.826 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.7 -40.84 98.39 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.258 -0.428 . . . . 1.84 110.129 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -71.78 -28.71 63.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.925 -0.58 . . . . 1.06 110.559 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -71.65 -48.39 48.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.757 -0.656 . . . . 1.03 110.418 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -66.86 -27.6 67.66 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.027 -0.269 . . . . 1.32 110.576 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.85 -40.22 94.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.289 0.566 . . . . 2.58 109.754 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -91.45 23.73 3.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.426 -0.806 . . . . 1.11 111.576 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 83.5 mtp 58.41 39.72 24.95 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.254 0.55 . . . . 3.04 111.478 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -112.51 65.14 0.63 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.988 -0.551 . . . . 2.07 109.642 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -54.0 -58.27 13.33 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 115.685 -0.689 . . . . 0.61 114.512 -173.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.46 -35.83 72.77 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 117.202 0.501 . . . . 4.54 110.997 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.23 -46.55 76.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 1.6 109.958 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.23 -48.06 79.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.557 -0.747 . . . . 1.05 110.494 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.98 -46.17 88.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 1.99 110.805 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -57.52 -50.69 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.337 . . . . 1.83 110.952 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -62.97 -32.06 73.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.434 -0.348 . . . . 0.98 111.787 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -69.45 -40.96 76.86 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.093 0.473 . . . . 3.39 109.971 171.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.31 -33.19 72.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.442 -0.799 . . . . 2.55 110.36 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -85.28 -27.73 25.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.519 -0.764 . . . . 2.17 109.123 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.08 87.65 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.967 -0.56 . . . . 1.05 110.099 172.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -58.26 -48.88 79.05 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.925 -0.579 . . . . 2.16 110.312 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -59.72 -44.15 93.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.701 -0.681 . . . . 2.2 110.365 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.72 -45.74 81.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.496 -0.32 . . . . 1.07 111.517 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 30.4 m0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.855 0.36 . . . . 0.56 111.313 179.476 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . 0.611 ' OH ' ' HE3' ' A' ' 705' ' ' LYS . 28.7 p90 . . . . . 0 C--O 1.225 -0.23 0 N-CA-C 112.198 0.444 . . . . 1.2 112.198 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 67.9 mtt -72.25 -42.84 65.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.77 0.319 . . . . 1.59 110.414 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 667' ' ' MET . . . . . 0.44 ' HE2' HD11 ' A' ' 668' ' ' LEU . 11.9 tmm? -70.23 -43.6 70.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.857 -0.794 . . . . 1.59 108.857 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.44 HD11 ' HE2' ' A' ' 667' ' ' MET . 10.9 mp -60.23 -41.73 93.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.529 -0.76 . . . . 1.45 110.895 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.77 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.747 0.308 . . . . 1.05 110.525 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -65.42 -41.98 92.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.26 -0.427 . . . . 3.87 109.929 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.24 -41.59 76.79 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.553 -0.536 . . . . 1.89 109.553 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.46 70.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.931 0.396 . . . . 1.05 110.92 174.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -68.53 -37.14 79.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 1.76 110.149 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.7 mtm -73.09 -17.03 61.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 1.39 110.405 176.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.73 -29.57 22.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.16 -0.473 . . . . 1.22 110.107 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 16.1 t80 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.5 -0.318 . . . . 0.99 111.422 -177.737 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 C--O 1.234 0.241 0 N-CA-C 109.259 -0.645 . . . . 1.68 109.259 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -52.16 -31.18 44.36 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.145 2.563 . . . . 0.48 113.435 -175.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -67.12 -55.18 15.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.705 0.288 . . . . 2.21 110.593 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . 0.475 ' O ' ' HD3' ' A' ' 688' ' ' ARG . 0.9 OUTLIER -68.55 -30.4 69.18 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.264 -0.643 . . . . 3.76 109.264 -178.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 29.0 m -54.79 -51.5 65.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.841 -0.618 . . . . 1.54 110.405 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.24 -35.45 82.89 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.352 -0.928 . . . . 0.2 112.023 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . 0.584 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 2.0 m-20 -61.86 -47.93 82.78 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.946 -0.302 . . . . 1.54 110.322 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . 0.423 HD21 ' CZ ' ' A' ' 688' ' ' ARG . 23.7 tp -74.52 -32.0 62.34 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.633 -0.427 . . . . 1.91 110.861 -178.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -66.37 -35.84 81.35 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 120.888 -0.325 . . . . 1.56 110.8 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 9.8 p -75.53 -33.21 60.69 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.648 -0.421 . . . . 1.1 110.418 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 55.2 mt-30 -65.43 -41.02 93.98 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.126 -0.694 . . . . 2.83 109.126 172.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.75 94.0 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.573 -0.739 . . . . 1.05 110.807 175.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.22 85.77 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.623 0.249 . . . . 1.05 110.466 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . 0.402 ' HA ' ' HE1' ' A' ' 701' ' ' MET . 34.6 mt-10 -60.21 -49.99 75.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 1.84 109.837 175.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -64.92 -30.27 71.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 1.06 110.838 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.15 -53.16 18.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.54 . . . . 1.03 110.761 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 701' ' ' MET . . . . . 0.402 ' HE1' ' HA ' ' A' ' 698' ' ' GLU . 27.2 ptt? -69.08 -25.59 64.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.848 0.356 . . . . 1.32 110.349 -178.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.15 -32.91 69.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.394 0.616 . . . . 2.58 109.844 174.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.91 18.21 5.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.508 -0.769 . . . . 1.11 111.086 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 7.1 tpt 67.11 23.32 9.65 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.894 -0.594 . . . . 3.04 111.018 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . 0.611 ' HE3' ' OH ' ' A' ' 665' ' ' TYR . 75.0 mmtt -102.07 76.25 1.58 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.05 -0.523 . . . . 2.07 110.474 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -57.42 -50.42 65.02 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.256 -0.497 . . . . 0.61 113.353 -178.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . 0.414 ' HG3' ' OE1' ' A' ' 711' ' ' GLN . 2.7 tpp180 -53.29 -50.25 65.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.086 0.47 . . . . 4.54 110.968 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.32 -45.93 91.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.508 -0.769 . . . . 1.6 110.579 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.56 89.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 1.05 110.986 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -61.49 -50.25 73.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 1.99 110.572 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . 0.414 ' OE1' ' HG3' ' A' ' 707' ' ' ARG . 25.5 mt-30 -56.7 -56.19 24.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 1.83 111.504 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -61.38 -33.08 73.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.289 -0.414 . . . . 0.98 111.851 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -71.4 -41.03 70.12 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.395 -0.522 . . . . 3.39 109.627 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.57 -25.41 67.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.631 0.729 . . . . 2.55 109.97 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -86.02 -32.05 21.67 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.423 -0.808 . . . . 2.17 108.983 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.23 -46.18 84.96 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.844 -0.616 . . . . 1.05 110.051 173.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -62.44 -43.17 99.47 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.668 -0.697 . . . . 2.16 110.259 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.95 -44.86 87.23 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.085 -0.507 . . . . 2.2 110.683 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.31 -52.32 63.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 1.07 111.33 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 34.5 m0 . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 111.996 0.369 . . . . 0.56 111.996 -178.534 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . 0.737 ' HH ' ' HE2' ' A' ' 705' ' ' LYS . 44.7 p90 . . . . . 0 C--O 1.225 -0.194 0 N-CA-C 111.795 0.294 . . . . 1.2 111.795 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.476 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 63.8 mtt -69.74 -32.92 71.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.62 0.247 . . . . 1.59 110.606 -177.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 58.9 ttp -70.8 -44.47 66.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.401 -0.592 . . . . 1.59 109.401 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.54 -36.3 83.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.474 -0.784 . . . . 1.45 110.733 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.59 -32.93 53.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.403 -0.362 . . . . 1.05 110.333 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . 0.531 ' O ' ' HG3' ' A' ' 674' ' ' MET . 34.4 ttm180 -65.2 -40.47 94.22 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.55 -0.537 . . . . 3.87 109.55 176.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -63.51 -48.2 78.56 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.979 -0.748 . . . . 1.89 108.979 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.9 -40.73 76.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.245 -0.888 . . . . 1.05 111.674 177.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -69.32 -33.49 73.23 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.266 -0.272 . . . . 1.76 110.266 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 674' ' ' MET . . . . . 0.531 ' HG3' ' O ' ' A' ' 670' ' ' ARG . 84.4 mtp -68.73 -30.76 69.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.431 -0.35 . . . . 1.39 110.257 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.58 -35.63 52.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 1.22 110.993 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 36.8 t80 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.128 -0.487 . . . . 0.99 111.258 -175.844 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 30.0 t70 . . . . . 0 C--O 1.233 0.202 0 N-CA-C 110.174 -0.306 . . . . 1.68 110.174 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.82 -30.07 66.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.954 2.436 . . . . 0.48 113.13 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -67.57 -54.32 20.87 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.917 -0.401 . . . . 2.21 109.917 -176.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -70.13 -31.47 69.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.991 -0.374 . . . . 3.76 109.991 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 45.2 m -55.98 -47.32 77.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.54 110.234 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.1 -32.47 72.9 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.252 -0.975 . . . . 0.2 111.852 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 33.1 t70 -63.38 -44.79 93.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.238 0.542 . . . . 1.54 110.2 178.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 50.2 mt -72.03 -35.8 69.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.988 -0.551 . . . . 1.91 110.986 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -70.14 -33.68 72.1 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.023 -0.271 . . . . 1.56 111.298 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 5.3 p -70.89 -37.15 73.0 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.572 -0.451 . . . . 1.1 110.115 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 23.4 mt-30 -66.17 -41.31 90.49 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.217 -0.447 . . . . 2.83 109.816 174.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.3 97.29 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.083 -0.508 . . . . 1.05 111.138 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.85 -35.9 81.1 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.872 0.368 . . . . 1.05 110.222 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.52 -48.81 80.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.812 -0.631 . . . . 1.84 109.957 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -66.62 -28.32 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 1.06 110.913 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -74.3 -51.2 15.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 1.03 110.678 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -63.62 -35.02 79.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 1.32 110.199 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -70.72 -28.75 64.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.906 -0.588 . . . . 2.58 109.947 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -92.06 21.04 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.799 -0.637 . . . . 1.11 111.407 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 44.8 ttm 71.59 4.45 5.05 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.191 0.519 . . . . 3.04 111.622 174.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . 0.737 ' HE2' ' HH ' ' A' ' 665' ' ' TYR . 30.5 mmmt -88.14 62.39 6.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.172 -0.467 . . . . 2.07 110.323 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -53.51 -47.54 62.96 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-N 115.942 -0.572 . . . . 0.61 114.216 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -64.29 -42.54 96.36 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 117.339 0.569 . . . . 4.54 110.826 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.48 -41.49 96.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.358 -0.383 . . . . 1.6 110.137 177.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.09 -47.1 81.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.794 -0.639 . . . . 1.05 110.612 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -58.64 -48.77 79.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.847 -0.615 . . . . 1.99 110.626 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -58.38 -54.31 48.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.437 -0.347 . . . . 1.83 111.508 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -59.96 -33.12 71.5 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.099 -0.241 . . . . 0.98 111.129 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -71.03 -39.38 72.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.808 -0.441 . . . . 3.39 109.808 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -64.35 -26.25 68.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.855 -0.611 . . . . 2.55 110.116 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -85.43 -32.33 22.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.532 -0.758 . . . . 2.17 108.986 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.37 -49.3 69.85 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.789 -0.641 . . . . 1.05 109.999 174.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -60.87 -43.45 98.38 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.539 -0.755 . . . . 2.16 110.328 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.83 -42.71 89.87 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.404 -0.362 . . . . 2.2 110.63 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -58.65 -52.18 66.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 1.07 111.23 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 33.9 m0 . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 111.722 0.267 . . . . 0.56 111.722 -177.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . 0.408 ' CZ ' ' HG3' ' A' ' 705' ' ' LYS . 8.5 p90 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.642 0.258 . . . . 1.2 111.268 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 60.5 mtt -73.58 -33.54 64.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.88 0.371 . . . . 1.59 110.17 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 667' ' ' MET . . . . . 0.412 ' HE2' HD13 ' A' ' 668' ' ' LEU . 6.3 tmm? -72.16 -44.48 63.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.927 -0.768 . . . . 1.59 108.927 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.412 HD13 ' HE2' ' A' ' 667' ' ' MET . 9.2 mp -62.27 -35.58 79.41 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.715 -0.675 . . . . 1.45 110.619 176.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.69 -32.3 57.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.359 . . . . 1.05 110.401 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -63.9 -43.69 95.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.927 -0.579 . . . . 3.87 109.467 174.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -63.03 -48.03 80.5 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.889 -0.782 . . . . 1.89 108.889 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -57.03 -42.62 80.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.363 -0.835 . . . . 1.05 111.465 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -68.36 -35.25 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.635 0.255 . . . . 1.76 110.37 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 64.8 mtm -72.57 -27.0 61.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.663 0.268 . . . . 1.39 110.647 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.21 -28.72 31.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.415 -0.357 . . . . 1.22 111.208 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . 0.614 ' CZ ' ' HA ' ' A' ' 719' ' ' ALA . 11.9 t80 . . . . . 0 C--N 1.325 -0.466 0 C-N-CA 120.874 -0.331 . . . . 0.99 111.8 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 CA--C 1.528 0.105 0 N-CA-C 109.512 -0.551 . . . . 1.68 109.512 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.83 -31.64 34.14 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.297 2.665 . . . . 0.48 113.74 -176.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -68.02 -52.63 33.4 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 120.966 0.412 . . . . 2.21 110.024 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -66.27 -36.64 83.5 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.162 -0.681 . . . . 3.76 109.162 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 689' ' ' SER . . . . . 0.406 ' HB3' ' HB2' ' A' ' 676' ' ' PHE . 20.0 m -54.41 -54.56 39.07 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.261 -0.881 . . . . 1.54 110.582 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.43 -31.14 76.09 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.288 -0.958 . . . . 0.2 111.881 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.18 -44.0 96.65 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.601 -0.518 . . . . 1.54 109.601 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.55 -36.32 73.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.037 -0.529 . . . . 1.91 110.82 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . 0.465 ' HH ' ' HZ3' ' A' ' 715' ' ' LYS . 24.6 m-85 -63.41 -42.63 98.76 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.802 0.334 . . . . 1.56 110.7 176.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 15.7 p -71.18 -37.33 72.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.468 -0.333 . . . . 1.1 110.44 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . 0.623 HE21 ' HA ' ' A' ' 695' ' ' GLN . 0.0 OUTLIER -65.89 -40.6 91.7 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.56 -0.533 . . . . 2.83 109.56 175.064 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.19 94.21 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.963 -0.562 . . . . 1.05 110.922 175.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.83 -37.23 85.67 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.801 0.334 . . . . 1.05 110.34 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.66 -46.69 88.67 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.103 -0.499 . . . . 1.84 110.092 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -68.12 -28.9 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.968 0.413 . . . . 1.06 110.738 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.24 -51.7 28.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.824 -0.626 . . . . 1.03 110.241 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -69.24 -25.65 64.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.951 0.405 . . . . 1.32 110.197 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -71.11 -33.81 70.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.129 0.49 . . . . 2.58 109.843 175.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -94.4 26.18 3.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.929 -0.578 . . . . 1.11 110.958 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 24.5 mmt 54.12 47.9 22.19 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.699 -0.682 . . . . 3.04 110.821 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . 0.408 ' HG3' ' CZ ' ' A' ' 665' ' ' TYR . 25.8 mmtm -127.18 64.03 1.32 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.345 -0.843 . . . . 2.07 109.877 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -56.42 -39.8 84.49 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.565 -0.743 . . . . 0.61 113.513 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -55.25 -50.23 70.0 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.297 0.57 . . . . 4.54 110.201 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.61 -45.33 94.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.388 -0.824 . . . . 1.6 110.266 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.84 83.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.781 -0.645 . . . . 1.05 111.126 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -62.81 -49.79 73.55 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.854 -0.425 . . . . 1.99 109.854 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -58.23 -55.45 34.77 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.021 -0.536 . . . . 1.83 111.532 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -60.2 -33.73 72.65 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.664 0.246 . . . . 0.98 111.664 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -70.25 -40.07 74.65 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.512 -0.475 . . . . 3.39 109.807 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -67.9 -25.92 65.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.453 0.644 . . . . 2.55 109.952 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . 0.465 ' HZ3' ' HH ' ' A' ' 693' ' ' TYR . 25.9 tptp -83.19 -29.01 28.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.059 -1.089 . . . . 2.17 108.059 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.88 -47.43 80.7 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.384 -0.825 . . . . 1.05 110.103 170.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.61 -38.98 92.88 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.767 -0.651 . . . . 2.16 110.298 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -59.13 -44.34 92.04 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 110.088 -0.338 . . . . 2.2 110.088 172.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . 0.614 ' HA ' ' CZ ' ' A' ' 676' ' ' PHE . . . -57.02 -47.97 79.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.355 -0.384 . . . . 1.07 111.511 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 34.0 m0 . . . . . 0 C--N 1.327 -0.408 0 C-N-CA 120.769 -0.372 . . . . 0.56 111.914 -179.501 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 21.3 p90 . . . . . 0 C--O 1.222 -0.363 0 N-CA-C 111.987 0.366 . . . . 1.2 111.987 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 10.5 mmt -71.83 -38.53 70.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.864 0.364 . . . . 1.59 110.725 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 51.1 ttp -70.52 -42.72 70.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.421 0.629 . . . . 1.59 109.693 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 9.1 mp -66.57 -33.56 75.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.523 -0.762 . . . . 1.45 110.563 177.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.04 -32.59 59.41 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.238 -0.282 . . . . 1.05 110.238 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -62.04 -46.51 88.84 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.659 -0.497 . . . . 3.87 109.659 174.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -63.78 -44.66 92.72 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.304 -0.628 . . . . 1.89 109.304 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 692' ' ' LEU . . . -53.73 -43.56 69.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.828 -0.623 . . . . 1.05 111.652 175.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.36 -38.06 77.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.85 0.357 . . . . 1.76 110.478 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.4 mtm -69.06 -27.07 65.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 1.39 110.35 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.85 -17.59 32.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.873 0.368 . . . . 1.22 110.346 175.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . 0.474 ' CE1' ' HE2' ' A' ' 715' ' ' LYS . 47.3 t80 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.458 -0.337 . . . . 0.99 111.573 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 C--O 1.234 0.272 0 N-CA-C 109.177 -0.675 . . . . 1.68 109.177 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -52.62 -30.6 46.1 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.205 2.604 . . . . 0.48 113.593 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -72.33 -52.52 15.79 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.788 -0.365 . . . . 2.21 110.04 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -62.02 -35.57 78.95 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.657 -0.497 . . . . 3.76 109.657 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 33.2 t -52.36 -56.72 13.01 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.42 -0.809 . . . . 1.54 110.41 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.55 -31.97 74.37 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.151 -1.023 . . . . 0.2 112.026 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.66 -51.94 67.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.01 0.433 . . . . 1.54 110.0 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . 0.44 ' HB3' ' HB3' ' A' ' 672' ' ' ALA . 4.5 mm? -67.68 -36.44 80.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.379 -0.373 . . . . 1.91 110.874 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . 0.467 ' CE2' ' HD2' ' A' ' 715' ' ' LYS . 8.3 m-85 -66.48 -38.23 86.83 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 120.926 -0.31 . . . . 1.56 111.191 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 14.0 p -71.93 -40.88 68.43 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.753 -0.379 . . . . 1.1 110.974 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.91 -40.78 95.6 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.289 -0.564 . . . . 2.83 110.03 174.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.62 90.13 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.222 -0.444 . . . . 1.05 110.665 175.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.12 -35.82 80.58 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.801 0.334 . . . . 1.05 110.702 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -59.25 -49.08 79.21 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.985 -0.552 . . . . 1.84 109.64 175.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -66.27 -29.69 69.96 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.897 -0.592 . . . . 1.06 111.088 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -71.89 -50.87 25.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.014 -0.539 . . . . 1.03 110.503 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 45.3 ttp -64.82 -30.6 71.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 1.32 110.143 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -63.53 -41.71 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.814 -0.63 . . . . 2.58 110.341 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -81.48 14.41 2.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 1.11 111.463 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 83.0 mtp 66.32 21.99 10.9 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.215 0.531 . . . . 3.04 111.209 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -101.52 57.73 0.85 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.208 -0.664 . . . . 2.07 109.208 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -54.93 -38.02 64.04 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.319 -0.855 . . . . 0.61 113.63 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -58.86 -49.76 76.53 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 117.07 0.435 . . . . 4.54 110.375 177.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.71 -46.21 91.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.574 -0.528 . . . . 1.6 109.574 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -54.45 -55.34 29.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.988 -1.006 . . . . 1.05 111.331 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -64.2 -35.9 82.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.396 -0.366 . . . . 1.99 110.87 -176.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.34 -52.2 66.64 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.682 -0.407 . . . . 1.83 110.524 173.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -64.56 -25.69 68.09 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.989 0.366 . . . . 0.98 111.989 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -70.04 -43.77 70.58 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.572 -0.529 . . . . 3.39 109.572 170.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -58.44 -31.33 67.66 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.705 -0.679 . . . . 2.55 110.077 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . 0.474 ' HE2' ' CE1' ' A' ' 676' ' ' PHE . 6.2 tmtp? -82.86 -36.02 25.78 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.087 -0.961 . . . . 2.17 108.983 -175.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.37 89.16 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.821 -0.627 . . . . 1.05 110.466 175.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.98 -43.07 79.79 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.058 -0.519 . . . . 2.16 109.892 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -63.36 -38.44 91.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.338 -0.392 . . . . 2.2 110.429 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.46 58.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.691 0.282 . . . . 1.07 111.087 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 30.2 m0 . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 112.205 0.446 . . . . 0.56 112.205 -178.42 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . 0.631 ' CE2' ' HG3' ' A' ' 666' ' ' MET . 40.2 p90 . . . . . 0 C--O 1.225 -0.233 0 N-CA-C 111.73 0.27 . . . . 1.2 111.73 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.631 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 51.7 mtt -70.98 -28.69 64.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.649 0.262 . . . . 1.59 110.626 -179.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 59.6 ttp -69.9 -49.05 55.91 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.473 -0.566 . . . . 1.59 109.473 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.15 -33.6 75.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.299 -0.864 . . . . 1.45 110.636 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -78.01 -31.89 50.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.19 -0.459 . . . . 1.05 110.474 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -62.9 -43.67 98.18 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.223 0.535 . . . . 3.87 109.69 175.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -65.65 -44.43 86.35 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.761 -0.654 . . . . 1.89 109.642 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -57.77 -39.96 78.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 1.05 111.166 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.55 -42.69 98.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.859 -0.609 . . . . 1.76 110.334 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.8 mtm -67.59 -25.04 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 1.39 110.483 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.72 -18.91 33.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.483 -0.326 . . . . 1.22 110.635 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 C--N 1.325 -0.462 0 C-N-CA 121.179 -0.209 . . . . 0.99 111.229 -179.005 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.101 -0.333 . . . . 1.68 110.101 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.94 -31.96 65.7 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.971 2.447 . . . . 0.48 113.498 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -69.51 -54.6 13.42 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 120.747 0.308 . . . . 2.21 110.549 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -68.43 -32.47 72.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 3.76 109.854 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 23.3 t -55.18 -46.39 75.81 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.71 -0.677 . . . . 1.54 110.023 176.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.83 -31.48 67.26 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.416 -0.897 . . . . 0.2 112.1 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 695' ' ' GLN . 20.7 t70 -62.1 -45.95 91.22 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.392 -0.596 . . . . 1.54 109.392 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.92 -35.4 72.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.788 -0.642 . . . . 1.91 111.11 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -69.55 -34.04 73.65 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.948 -0.301 . . . . 1.56 111.364 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 11.5 p -73.59 -32.12 63.95 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.359 -0.536 . . . . 1.1 110.011 176.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 691' ' ' ASP . 85.4 mm-40 -64.64 -44.07 91.64 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.44 -0.578 . . . . 2.83 109.44 171.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.99 91.84 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.64 -0.709 . . . . 1.05 111.211 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.18 83.33 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.939 0.399 . . . . 1.05 110.491 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . 0.427 ' HG2' ' HE2' ' A' ' 701' ' ' MET . 5.3 tm-20 -61.22 -44.97 96.42 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.753 -0.658 . . . . 1.84 109.373 176.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -69.16 -29.75 67.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.993 -0.549 . . . . 1.06 110.914 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.18 -45.84 65.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.015 -0.539 . . . . 1.03 110.796 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 701' ' ' MET . . . . . 0.427 ' HE2' ' HG2' ' A' ' 698' ' ' GLU . 25.4 ptt? -70.94 -26.37 63.16 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.759 -0.376 . . . . 1.32 110.382 178.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -73.49 -24.65 60.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.041 0.448 . . . . 2.58 110.893 174.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -94.28 11.5 30.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.087 -0.506 . . . . 1.11 110.252 174.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 53.57 42.11 31.97 Favored 'General case' 0 N--CA 1.46 0.073 0 CA-C-N 115.009 -0.996 . . . . 3.04 111.513 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? -108.45 80.97 1.4 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.527 -0.76 . . . . 2.07 109.019 174.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -54.68 -58.72 12.13 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.628 -0.715 . . . . 0.61 113.7 -175.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -52.98 -42.23 65.35 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.841 0.353 . . . . 4.54 111.382 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.64 -47.54 78.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.126 -0.488 . . . . 1.6 110.23 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.14 -44.07 83.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.962 -0.563 . . . . 1.05 110.585 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -61.75 -50.8 70.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.017 -0.538 . . . . 1.99 110.692 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -58.74 -52.64 64.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.547 -0.297 . . . . 1.83 111.521 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -59.43 -36.33 75.71 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.134 -0.227 . . . . 0.98 111.446 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -68.45 -39.28 81.51 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.999 0.428 . . . . 3.39 109.896 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -67.19 -26.36 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.973 -0.558 . . . . 2.55 110.554 176.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . 0.415 ' HZ1' ' HB2' ' A' ' 715' ' ' LYS . 0.8 OUTLIER -82.57 -31.5 28.99 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.471 -0.937 . . . . 2.17 108.471 -178.381 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.67 -49.16 74.28 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.458 -0.792 . . . . 1.05 110.001 173.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -64.59 -39.65 94.11 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.992 -0.549 . . . . 2.16 109.99 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.56 -45.62 88.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.755 0.312 . . . . 2.2 110.473 176.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.95 -48.39 78.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.002 -0.545 . . . . 1.07 110.886 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 42.2 m0 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.321 -0.399 . . . . 0.56 111.888 -178.61 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 6.1 p90 . . . . . 0 N--CA 1.461 0.077 0 CA-C-O 120.519 0.2 . . . . 1.2 111.509 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 61.8 mtt -70.04 -42.17 73.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.954 0.406 . . . . 1.59 109.992 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 57.9 ttp -68.63 -43.82 75.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 1.59 110.118 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.47 -35.8 81.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.548 -0.751 . . . . 1.45 110.832 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.3 -33.87 59.06 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.956 -0.387 . . . . 1.05 109.956 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -62.2 -45.52 93.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.751 -0.659 . . . . 3.87 109.617 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . 0.433 ' O ' HD23 ' A' ' 675' ' ' LEU . 29.7 tt0 -66.03 -43.84 86.41 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.952 -0.567 . . . . 1.89 109.582 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.55 76.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 1.05 111.115 175.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -64.78 -40.32 95.06 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.827 -0.624 . . . . 1.76 110.354 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.5 mtm -70.17 -25.85 63.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 1.39 110.72 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 671' ' ' GLU . 3.9 mm? -84.38 -18.58 35.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.942 0.401 . . . . 1.22 110.395 177.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 37.0 t80 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.173 -0.467 . . . . 0.99 111.13 178.592 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 109.922 -0.399 . . . . 1.68 109.922 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.28 -38.96 73.25 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.221 2.614 . . . . 0.48 113.501 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -72.86 -43.29 62.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.847 0.356 . . . . 2.21 110.178 -176.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 688' ' ' ARG . 0.0 OUTLIER -70.03 -40.91 74.89 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.966 -0.753 . . . . 3.76 108.966 -178.402 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 23.1 t -56.25 -54.08 49.56 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.371 -0.831 . . . . 1.54 110.657 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.68 -32.8 79.06 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.243 -0.98 . . . . 0.2 112.237 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 32.8 t70 -64.0 -43.43 95.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.05 0.452 . . . . 1.54 109.839 177.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 33.9 mt -68.88 -37.58 79.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.34 -0.391 . . . . 1.91 110.906 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -66.46 -36.97 84.09 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.931 -0.308 . . . . 1.56 110.94 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 12.3 p -73.0 -37.38 67.01 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.752 -0.379 . . . . 1.1 110.601 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 26.5 mt-30 -65.16 -39.92 93.62 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.253 0.549 . . . . 2.83 109.673 173.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.59 92.65 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.761 -0.654 . . . . 1.05 110.556 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.78 84.45 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.836 0.35 . . . . 1.05 110.534 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 701' ' ' MET . 28.1 tt0 -57.24 -51.95 67.27 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.32 0.581 . . . . 1.84 109.548 173.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -61.6 -31.77 71.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.789 -0.641 . . . . 1.06 111.179 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -71.07 -48.82 50.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.081 -0.509 . . . . 1.03 110.554 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 701' ' ' MET . . . . . 0.496 ' HG2' ' O ' ' A' ' 698' ' ' GLU . 22.2 ptp -65.25 -31.33 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 1.32 110.611 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -76.78 -16.4 59.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.002 0.429 . . . . 2.58 111.254 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -103.09 13.99 32.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.233 -0.439 . . . . 1.11 111.256 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 22.6 mmt 64.58 34.82 9.65 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.344 0.592 . . . . 3.04 111.489 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -113.98 72.17 0.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.774 -0.648 . . . . 2.07 110.09 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -53.73 -48.34 61.82 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.59 -0.732 . . . . 0.61 113.472 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -60.85 -39.93 90.93 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 117.557 0.678 . . . . 4.54 110.999 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.29 -46.36 89.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.967 -0.382 . . . . 1.6 109.967 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.91 90.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.76 -0.655 . . . . 1.05 110.572 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -61.44 -49.93 74.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.51 -0.768 . . . . 1.99 110.276 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.38 -52.72 64.4 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.903 -0.59 . . . . 1.83 111.311 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -58.2 -34.8 70.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.969 0.359 . . . . 0.98 111.969 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . 0.407 ' O ' ' HG3' ' A' ' 717' ' ' GLU . 12.5 m-85 -67.83 -42.03 82.08 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 120.165 -0.614 . . . . 3.39 110.336 173.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -63.54 -29.78 70.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.378 0.609 . . . . 2.55 110.571 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -83.45 -33.78 25.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.545 -0.752 . . . . 2.17 109.132 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.53 83.53 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.075 0.464 . . . . 1.05 110.039 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 713' ' ' TYR . 40.5 mt-10 -59.94 -46.62 88.8 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.769 -0.65 . . . . 2.16 110.443 176.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -58.42 -44.19 88.98 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.282 -0.417 . . . . 2.2 110.406 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -53.03 -53.93 42.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 1.07 111.096 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 20.4 m0 . . . . . 0 C--N 1.328 -0.354 0 N-CA-C 112.028 0.381 . . . . 0.56 112.028 -178.231 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 36.3 p90 . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.645 0.26 . . . . 1.2 111.194 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 55.5 mtt -73.28 -30.96 63.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.582 -0.281 . . . . 1.59 110.388 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 667' ' ' MET . . . . . 0.425 ' HE3' HD11 ' A' ' 668' ' ' LEU . 10.6 tmm? -72.89 -45.34 58.74 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.609 -0.886 . . . . 1.59 108.609 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.425 HD11 ' HE3' ' A' ' 667' ' ' MET . 9.6 mp -60.33 -37.6 81.13 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.618 -0.719 . . . . 1.45 110.374 176.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.09 -33.69 57.0 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.181 -0.463 . . . . 1.05 110.589 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -64.4 -39.36 93.7 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.232 -0.655 . . . . 3.87 109.232 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . 0.426 ' O ' HD21 ' A' ' 675' ' ' LEU . 20.3 tp10 -63.67 -49.4 73.3 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.309 -0.86 . . . . 1.89 108.839 177.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.51 73.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.411 -0.813 . . . . 1.05 111.144 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.94 -39.57 90.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.527 . . . . 1.76 110.307 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 66.4 mtm -74.81 -18.13 60.51 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.31 -0.405 . . . . 1.39 110.615 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.426 HD21 ' O ' ' A' ' 671' ' ' GLU . 3.6 mm? -85.07 -28.51 25.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.751 0.31 . . . . 1.22 110.591 175.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 116.48 -0.327 . . . . 0.99 111.031 -179.486 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 110.215 -0.291 . . . . 1.68 110.215 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -52.2 -32.89 52.11 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 123.344 2.696 . . . . 0.48 113.712 -178.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.91 -51.79 36.2 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 109.21 -0.663 . . . . 2.21 109.21 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -66.75 -36.88 83.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.604 -0.725 . . . . 3.76 109.636 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 20.7 m -54.56 -52.28 62.58 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.522 -0.763 . . . . 1.54 110.492 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.85 -34.85 83.67 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.308 -0.948 . . . . 0.2 112.141 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.36 -44.32 96.75 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.29 0.567 . . . . 1.54 109.831 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 55.5 mt -73.93 -36.37 64.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.89 -0.595 . . . . 1.91 111.137 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -65.95 -37.85 87.08 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.934 -0.306 . . . . 1.56 110.812 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 18.2 p -73.74 -35.66 65.06 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.731 -0.388 . . . . 1.1 110.287 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -66.5 -39.35 88.67 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.259 -0.645 . . . . 2.83 109.259 175.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.77 95.71 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.88 -0.6 . . . . 1.05 110.825 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.95 79.12 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.941 0.401 . . . . 1.05 109.957 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.85 -45.09 94.19 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.799 -0.637 . . . . 1.84 109.632 175.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -68.25 -28.32 67.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 1.06 110.777 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.79 -47.73 36.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 1.03 110.635 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -69.96 -29.89 67.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 1.32 110.242 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -69.28 -31.0 69.22 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.602 -0.518 . . . . 2.58 109.602 175.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -83.58 9.14 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.885 -0.598 . . . . 1.11 111.091 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 62.3 mtt 67.78 31.26 5.95 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.133 -0.485 . . . . 3.04 110.988 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -119.62 78.12 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.424 0.63 . . . . 2.07 110.823 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -62.29 -33.06 84.89 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.067 -0.97 . . . . 0.61 114.01 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -62.47 -49.07 76.86 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 117.537 0.669 . . . . 4.54 109.959 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.98 -45.62 91.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.449 -0.796 . . . . 1.6 110.259 177.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.64 -41.04 80.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.715 -0.675 . . . . 1.05 110.984 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -62.26 -51.97 65.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 1.99 110.205 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -55.89 -56.07 25.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 1.83 110.88 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -61.87 -35.62 78.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.351 0.501 . . . . 0.98 112.351 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -69.69 -40.72 76.18 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 119.461 -0.896 . . . . 3.39 109.724 176.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.2 -25.93 68.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.54 0.686 . . . . 2.55 109.86 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -81.47 -35.09 30.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.167 -0.924 . . . . 2.17 108.646 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.28 80.52 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.501 -0.772 . . . . 1.05 110.432 174.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -66.02 -43.87 86.39 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.34 -0.846 . . . . 2.16 108.724 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -64.6 -36.73 85.18 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.141 -0.481 . . . . 2.2 111.366 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.91 -51.3 68.08 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.844 0.355 . . . . 1.07 110.764 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 27.3 m0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.56 111.79 -179.829 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . 0.58 ' CE2' ' HG3' ' A' ' 666' ' ' MET . 32.5 p90 . . . . . 0 C--O 1.227 -0.115 0 N-CA-C 112.152 0.427 . . . . 1.2 112.152 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 666' ' ' MET . . . . . 0.58 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 48.8 mtt -70.75 -39.51 73.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.585 0.231 . . . . 1.59 111.133 -177.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 667' ' ' MET . . . . . 0.408 ' HE2' HD12 ' A' ' 668' ' ' LEU . 12.5 tmm? -69.78 -42.77 73.37 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 109.079 -0.712 . . . . 1.59 109.079 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . 0.408 HD12 ' HE2' ' A' ' 667' ' ' MET . 8.9 mp -63.57 -36.2 83.01 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.579 -0.737 . . . . 1.45 110.709 177.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.14 -30.9 55.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.902 0.382 . . . . 1.05 110.159 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -62.73 -46.39 88.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.029 -0.532 . . . . 3.87 110.189 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.48 -41.5 93.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.707 -0.479 . . . . 1.89 109.707 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.67 -40.97 76.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.063 0.458 . . . . 1.05 110.941 175.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.73 -44.11 94.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.894 -0.594 . . . . 1.76 110.4 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.8 mtm -67.91 -29.74 68.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.871 -0.604 . . . . 1.39 111.09 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.23 -31.11 30.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.685 0.278 . . . . 1.22 111.128 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 61.8 t80 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.406 -0.361 . . . . 0.99 110.636 -178.568 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.492 0.187 . . . . 1.68 110.514 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -55.53 -28.02 62.56 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.945 2.43 . . . . 0.48 113.3 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -67.78 -54.62 17.75 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 120.722 0.296 . . . . 2.21 110.701 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -67.74 -32.79 73.65 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.729 -0.471 . . . . 3.76 109.729 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 28.8 m -56.32 -49.05 75.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.949 -0.568 . . . . 1.54 110.739 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.72 -32.74 70.71 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 120.25 -0.976 . . . . 0.2 112.256 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . 0.501 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 35.4 t70 -64.43 -41.56 96.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.272 0.558 . . . . 1.54 109.689 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 42.3 mt -71.48 -36.88 71.29 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.879 -0.601 . . . . 1.91 111.041 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -70.98 -32.76 69.7 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.947 -0.301 . . . . 1.56 111.545 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 7.3 p -72.47 -37.41 68.48 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.579 -0.448 . . . . 1.1 109.975 176.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 28.0 mt-30 -64.18 -41.54 97.06 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.324 -0.621 . . . . 2.83 109.324 173.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.84 94.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.798 -0.637 . . . . 1.05 111.278 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.38 90.78 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.867 0.365 . . . . 1.05 110.348 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 701' ' ' MET . 19.3 tt0 -59.76 -45.96 90.63 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.758 -0.655 . . . . 1.84 109.522 175.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -69.87 -27.42 64.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.768 -0.651 . . . . 1.06 110.922 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.61 -46.98 51.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.176 -0.465 . . . . 1.03 110.891 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 701' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' A' ' 698' ' ' GLU . 25.1 ptt? -67.46 -27.02 66.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.647 -0.501 . . . . 1.32 109.647 177.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -72.49 -31.04 65.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.183 -0.917 . . . . 2.58 110.525 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -95.26 17.69 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.466 -0.788 . . . . 1.11 111.371 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 49.2 mtt 64.27 29.78 13.65 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.035 -0.53 . . . . 3.04 111.315 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -114.47 85.65 2.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.788 0.327 . . . . 2.07 110.846 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -57.75 -54.35 38.07 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.936 -0.574 . . . . 0.61 113.76 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -62.03 -36.16 80.75 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 117.066 0.433 . . . . 4.54 111.214 -176.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.6 -43.72 96.1 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.788 -0.449 . . . . 1.6 109.788 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.72 90.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.584 -0.734 . . . . 1.05 110.339 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -61.4 -50.71 71.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.219 -0.446 . . . . 1.99 110.474 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -55.76 -56.2 23.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.132 -0.485 . . . . 1.83 111.083 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -62.14 -32.2 72.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.248 -0.433 . . . . 0.98 111.785 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -70.68 -39.19 73.68 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.383 -0.599 . . . . 3.39 109.383 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.53 -28.22 69.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.29 -0.868 . . . . 2.55 110.22 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -87.88 -25.3 23.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.651 -0.704 . . . . 2.17 109.266 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.35 -46.94 71.9 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.907 -0.588 . . . . 1.05 109.679 173.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -61.69 -44.98 95.89 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.829 -0.623 . . . . 2.16 109.901 175.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -54.76 -48.19 72.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.977 -0.556 . . . . 2.2 110.69 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -60.57 -44.88 95.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.575 -0.739 . . . . 1.07 111.767 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 32.8 m0 . . . . . 0 C--N 1.324 -0.52 0 C-N-CA 120.277 -0.569 . . . . 0.56 111.505 -179.205 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 705' ' ' LYS . 25.0 p90 . . . . . 0 C--O 1.222 -0.389 0 N-CA-C 111.559 0.207 . . . . 1.2 111.559 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 67.4 mtt -71.22 -41.74 69.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.028 0.442 . . . . 1.59 110.253 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 44.9 ttp -69.25 -45.12 70.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.732 -0.667 . . . . 1.59 109.701 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.87 -34.2 77.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.595 -0.73 . . . . 1.45 110.803 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.98 -31.61 56.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.87 0.367 . . . . 1.05 110.13 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -65.59 -42.34 91.81 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.558 -0.534 . . . . 3.87 109.558 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -66.22 -44.41 83.89 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.153 -0.684 . . . . 1.89 109.153 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -55.21 -41.7 72.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.873 -0.603 . . . . 1.05 111.406 174.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -64.87 -38.19 90.13 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.697 0.284 . . . . 1.76 110.691 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.4 mtm -73.23 -21.07 60.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.512 -0.313 . . . . 1.39 110.838 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.94 -26.91 23.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.69 0.281 . . . . 1.22 110.8 174.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 35.3 t80 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.567 -0.288 . . . . 0.99 111.445 -177.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . 0.49 ' OD2' ' HB3' ' A' ' 687' ' ' GLN . 22.3 t70 . . . . . 0 C--O 1.233 0.227 0 N-CA-C 110.036 -0.357 . . . . 1.68 110.036 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.44 -29.65 49.86 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.338 2.692 . . . . 0.48 113.811 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . 0.49 ' HB3' ' OD2' ' A' ' 685' ' ' ASP . 27.7 tp60 -66.01 -52.37 49.86 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.649 -0.5 . . . . 2.21 109.649 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -67.02 -35.3 79.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.744 -0.662 . . . . 3.76 109.557 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 17.9 m -55.06 -55.16 34.07 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.683 -0.69 . . . . 1.54 110.659 176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.5 -32.65 71.55 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.139 -1.029 . . . . 0.2 111.858 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 32.3 t70 -62.22 -45.77 91.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.381 0.61 . . . . 1.54 109.723 178.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.34 -34.68 63.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 1.91 111.045 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . 0.407 ' CE2' ' HD2' ' A' ' 715' ' ' LYS . 7.5 m-85 -65.71 -37.77 87.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.664 0.269 . . . . 1.56 111.108 177.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 15.5 p -72.05 -34.8 69.03 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.625 -0.43 . . . . 1.1 110.171 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 27.9 mt-30 -64.88 -44.37 89.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.881 -0.414 . . . . 2.83 109.881 172.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.91 93.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.016 -0.538 . . . . 1.05 111.039 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -70.12 -35.53 74.16 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.81 0.338 . . . . 1.05 110.526 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -60.6 -45.86 92.41 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.33 -0.618 . . . . 1.84 109.33 174.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -69.16 -26.21 64.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.989 -0.551 . . . . 1.06 110.964 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.03 -50.18 43.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.259 -0.428 . . . . 1.03 110.391 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -69.68 -25.31 63.82 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.704 -0.48 . . . . 1.32 109.704 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -67.56 -39.95 84.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.66 -0.7 . . . . 2.58 109.634 174.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.26 22.35 2.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.276 -0.875 . . . . 1.11 111.919 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 95.0 mmm 65.87 20.44 11.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.098 0.475 . . . . 3.04 111.909 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 665' ' ' TYR . 74.5 mmtt -107.86 65.1 0.63 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.078 -0.51 . . . . 2.07 109.734 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -57.39 -36.23 75.62 Favored Glycine 0 CA--C 1.517 0.183 0 CA-C-N 115.688 -0.687 . . . . 0.61 113.199 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -63.6 -45.01 92.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.937 0.398 . . . . 4.54 110.451 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.85 -42.68 98.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.96 -0.564 . . . . 1.6 109.883 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -56.87 -54.13 50.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.34 -0.846 . . . . 1.05 110.73 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -54.45 -48.64 71.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.264 -0.425 . . . . 1.99 110.728 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -57.56 -54.5 46.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.529 -0.305 . . . . 1.83 111.615 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -63.0 -27.01 69.13 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.316 0.487 . . . . 0.98 112.316 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -71.42 -40.79 70.21 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.397 -0.521 . . . . 3.39 109.997 172.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -64.69 -24.85 67.7 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.721 0.772 . . . . 2.55 109.629 175.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . 0.407 ' HD2' ' CE2' ' A' ' 693' ' ' TYR . 4.7 tmtp? -83.15 -37.23 23.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.293 -0.867 . . . . 2.17 108.823 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.42 98.88 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.834 -0.621 . . . . 1.05 110.076 173.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.56 -48.62 80.28 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.99 -0.55 . . . . 2.16 109.876 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -53.71 -46.54 70.79 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.169 -0.469 . . . . 2.2 110.725 176.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.27 -54.85 38.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.901 -0.591 . . . . 1.07 111.413 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 16.3 m0 . . . . . 0 C--N 1.328 -0.365 0 N-CA-C 112.044 0.387 . . . . 0.56 112.044 -178.403 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 1.8 p90 . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.504 0.192 . . . . 1.2 111.406 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 19.4 mmt -73.23 -38.88 65.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.649 0.262 . . . . 1.59 110.308 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 59.2 ttp -72.18 -43.35 64.67 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.546 -0.539 . . . . 1.59 109.546 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.55 -39.1 89.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.545 -0.752 . . . . 1.45 110.549 177.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.88 -32.92 57.81 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.739 0.304 . . . . 1.05 110.484 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -61.84 -47.15 86.36 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.7 -0.481 . . . . 3.87 109.7 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . 0.406 ' O ' HD22 ' A' ' 675' ' ' LEU . 32.8 tt0 -65.19 -43.74 90.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.304 -0.628 . . . . 1.89 109.304 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -54.56 -41.89 70.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.895 -0.593 . . . . 1.05 111.358 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.52 -41.0 89.45 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.428 -0.351 . . . . 1.76 110.401 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 70.4 mtm -68.43 -26.75 65.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 1.39 110.496 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.406 HD22 ' O ' ' A' ' 671' ' ' GLU . 3.9 mm? -86.39 -23.17 26.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 1.22 110.671 177.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 25.5 t80 . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.242 -0.436 . . . . 0.99 110.703 179.024 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.265 -0.643 . . . . 1.68 109.265 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -51.58 -33.22 47.41 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.17 2.58 . . . . 0.48 113.636 -177.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -69.08 -54.0 17.36 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.633 0.254 . . . . 2.21 110.389 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -67.08 -34.6 78.01 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.272 -0.64 . . . . 3.76 109.272 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 34.5 t -53.12 -55.16 26.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.717 -0.674 . . . . 1.54 110.528 175.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -66.89 -32.92 82.43 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.228 -0.987 . . . . 0.2 112.085 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.65 -44.59 93.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.145 0.498 . . . . 1.54 109.788 178.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 40.6 mt -70.25 -37.66 74.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.054 -0.521 . . . . 1.91 110.601 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.82 -38.91 87.36 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.19 -0.204 . . . . 1.56 111.129 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 19.6 p -73.58 -34.36 65.08 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.738 -0.385 . . . . 1.1 110.63 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -69.79 -39.51 76.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.938 -0.393 . . . . 2.83 109.938 174.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.95 97.85 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.228 -0.442 . . . . 1.05 110.482 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.78 74.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.849 0.356 . . . . 1.05 110.387 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -60.38 -49.26 78.28 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.862 -0.608 . . . . 1.84 109.709 174.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -66.88 -26.68 67.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.909 -0.587 . . . . 1.06 110.962 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.37 -49.69 25.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.982 -0.554 . . . . 1.03 110.707 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -67.35 -30.84 70.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.978 0.418 . . . . 1.32 110.165 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -68.42 -28.08 66.76 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.168 0.508 . . . . 2.58 109.969 176.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -95.12 17.65 13.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.715 -0.675 . . . . 1.11 111.091 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 26.3 mmt 59.11 41.52 20.41 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.992 -0.549 . . . . 3.04 111.364 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -114.43 84.17 2.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.969 -0.559 . . . . 2.07 110.156 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -53.96 -58.43 12.67 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.946 -0.57 . . . . 0.61 114.079 -178.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 707' ' ' ARG . 22.8 ttt180 -57.76 -40.47 79.84 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.997 0.399 . . . . 4.54 111.329 -176.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.74 -51.84 65.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.425 -0.352 . . . . 1.6 110.244 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -59.27 -46.66 87.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.751 -0.659 . . . . 1.05 111.055 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -59.3 -49.83 76.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 1.99 110.385 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -56.05 -56.51 19.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.539 . . . . 1.83 111.531 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -61.9 -32.93 73.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.31 -0.405 . . . . 0.98 111.859 -178.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -69.07 -40.05 78.7 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.359 -0.537 . . . . 3.39 109.95 173.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -58.79 -37.16 75.71 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.529 0.681 . . . . 2.55 110.299 176.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . 0.503 ' HZ3' ' HB2' ' A' ' 715' ' ' LYS . 0.2 OUTLIER -84.35 -27.16 27.91 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 109.061 -0.718 . . . . 2.17 109.061 -175.337 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.58 94.54 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 109.688 -0.486 . . . . 1.05 109.688 172.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -63.55 -48.49 77.28 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.755 -0.657 . . . . 2.16 109.756 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -59.33 -37.94 79.07 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.593 -0.276 . . . . 2.2 111.058 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -58.43 -54.01 51.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.634 0.254 . . . . 1.07 110.941 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 24.0 m0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.339 -0.391 . . . . 0.56 111.937 -178.536 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 9.3 p90 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 111.711 0.263 . . . . 1.2 111.711 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 14.7 mmt -71.35 -38.84 71.6 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.612 -0.435 . . . . 1.59 110.512 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 48.4 ttp -64.89 -49.45 70.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.2 0.524 . . . . 1.59 109.715 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.57 -32.2 73.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.426 -0.806 . . . . 1.45 110.946 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.43 -36.19 58.12 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.871 -0.332 . . . . 1.05 110.371 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -64.12 -42.6 96.8 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.554 -0.535 . . . . 3.87 109.554 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -62.53 -46.6 87.65 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.103 -0.703 . . . . 1.89 109.103 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -59.44 -41.39 89.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.794 -0.639 . . . . 1.05 111.187 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.43 -42.11 99.2 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.19 -0.459 . . . . 1.76 110.183 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 68.9 mtm -67.89 -37.1 81.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 1.39 110.643 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.34 -30.06 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.711 0.291 . . . . 1.22 111.164 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . 0.466 ' CE2' ' HA ' ' A' ' 719' ' ' ALA . 32.4 t80 . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 111.948 0.351 . . . . 0.99 111.948 -176.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 109.696 -0.483 . . . . 1.68 109.696 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.97 -31.61 64.35 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.885 2.39 . . . . 0.48 113.33 -176.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . 0.429 ' HA ' ' HE1' ' A' ' 720' ' ' TRP . 57.7 tp60 -69.92 -53.22 18.87 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.617 0.246 . . . . 2.21 110.366 -177.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -65.93 -32.23 73.61 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.503 -0.555 . . . . 3.76 109.503 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 40.6 m -54.59 -53.9 48.53 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.043 -0.526 . . . . 1.54 110.46 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.09 -31.79 72.43 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.267 -0.968 . . . . 0.2 111.92 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . 0.532 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 37.7 t70 -62.02 -46.04 90.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.25 0.548 . . . . 1.54 109.8 176.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 48.6 mt -71.12 -35.6 71.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.931 -0.577 . . . . 1.91 111.022 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -64.08 -39.63 94.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 1.56 110.668 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 11.8 p -74.38 -34.02 63.22 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.831 -0.348 . . . . 1.1 110.667 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 77.7 mt-30 -63.79 -44.96 91.81 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.168 -0.678 . . . . 2.83 109.168 172.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.88 95.16 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.429 -0.805 . . . . 1.05 110.952 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.51 79.83 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.792 0.329 . . . . 1.05 110.639 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.11 -48.03 83.53 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.385 -0.598 . . . . 1.84 109.385 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -65.3 -27.96 68.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.054 -0.521 . . . . 1.06 111.027 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.46 -50.72 35.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.09 -0.504 . . . . 1.03 110.548 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -68.37 -26.98 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.934 0.397 . . . . 1.32 110.032 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -68.57 -37.96 80.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.815 -0.629 . . . . 2.58 109.96 174.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.18 18.54 4.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.81 -0.632 . . . . 1.11 111.711 -177.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 62.0 mtm 66.1 28.58 10.23 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.283 -0.417 . . . . 3.04 111.398 177.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -113.33 72.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.98 0.419 . . . . 2.07 110.032 -178.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -60.75 -39.27 96.47 Favored Glycine 0 CA--C 1.518 0.257 0 CA-C-N 115.993 -0.549 . . . . 0.61 113.953 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -63.69 -42.93 97.94 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.052 0.453 . . . . 4.54 110.183 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.45 -43.76 98.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.752 -0.658 . . . . 1.6 109.629 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.69 -56.48 21.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.721 -0.672 . . . . 1.05 110.804 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -52.96 -48.65 67.22 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.308 -0.405 . . . . 1.99 110.656 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -54.82 -58.26 8.28 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.012 -0.54 . . . . 1.83 111.084 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -62.97 -28.88 70.39 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.777 0.658 . . . . 0.98 112.777 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -68.39 -47.46 67.29 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.451 -0.5 . . . . 3.39 109.753 173.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -66.1 -23.74 66.56 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.703 -0.68 . . . . 2.55 109.979 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -81.26 -34.74 31.88 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.515 -0.92 . . . . 2.17 108.515 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.17 91.68 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.451 -0.795 . . . . 1.05 110.053 171.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -59.66 -44.29 93.62 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.734 -0.666 . . . . 2.16 110.131 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -54.25 -48.95 70.6 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.117 -0.492 . . . . 2.2 110.319 175.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . 0.466 ' HA ' ' CE2' ' A' ' 676' ' ' PHE . . . -55.82 -53.21 59.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.435 -0.348 . . . . 1.07 111.765 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . 0.429 ' HE1' ' HA ' ' A' ' 687' ' ' GLN . 24.2 m0 . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 112.425 0.528 . . . . 0.56 112.425 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 14.4 p90 . . . . . 0 CA--C 1.531 0.215 0 CA-C-O 120.664 0.269 . . . . 1.2 111.659 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 64.1 mtt -75.19 -36.67 61.43 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.039 -0.264 . . . . 1.59 110.711 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 56.2 ttp -69.29 -45.42 69.63 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.431 -0.581 . . . . 1.59 109.431 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.8 -38.47 88.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.28 -0.873 . . . . 1.45 110.802 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.46 -32.62 54.55 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 121.012 -0.275 . . . . 1.05 110.417 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -64.03 -43.95 94.01 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.805 -0.443 . . . . 3.87 109.805 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.06 -47.13 86.07 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.125 -0.694 . . . . 1.89 109.125 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.86 -39.8 82.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.635 -0.711 . . . . 1.05 111.39 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -65.33 -45.17 85.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 1.76 110.306 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 72.0 mtm -67.07 -27.63 67.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.817 -0.629 . . . . 1.39 110.407 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 61.6 mt -87.22 -9.49 54.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.478 -0.328 . . . . 1.22 111.432 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . 0.472 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 63.5 t80 . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 120.906 0.384 . . . . 0.99 111.331 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.833 -0.432 . . . . 1.68 109.833 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -53.21 -28.51 42.47 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.948 2.432 . . . . 0.48 113.343 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -69.29 -54.88 12.4 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.654 0.264 . . . . 2.21 110.434 -177.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -68.95 -32.44 72.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 3.76 110.024 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 689' ' ' SER . . . . . 0.472 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 27.3 t -54.41 -50.16 68.24 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.746 -0.661 . . . . 1.54 110.249 177.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.71 -33.75 81.39 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.364 -0.922 . . . . 0.2 112.058 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -62.5 -44.82 95.44 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.191 0.52 . . . . 1.54 110.387 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 28.8 mt -72.93 -30.51 63.95 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.582 -0.447 . . . . 1.91 111.23 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -67.71 -37.2 81.92 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.752 -0.379 . . . . 1.56 110.919 174.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 18.0 p -71.3 -40.85 70.57 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.807 -0.357 . . . . 1.1 110.387 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -38.42 91.04 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.302 -0.629 . . . . 2.83 109.302 176.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -63.63 -37.69 88.29 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.534 -0.757 . . . . 1.05 111.078 175.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.43 88.31 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.645 0.259 . . . . 1.05 110.725 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -45.14 91.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 1.84 110.005 175.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -70.58 -30.57 67.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 1.06 111.04 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -69.74 -48.38 59.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 1.03 110.704 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -67.88 -28.78 67.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 1.32 110.113 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.31 -26.29 61.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.328 0.585 . . . . 2.58 109.847 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.74 14.97 10.5 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.748 -0.66 . . . . 1.11 110.622 175.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 75.2 mtp 60.7 35.26 19.77 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.438 -0.801 . . . . 3.04 111.253 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -120.03 80.64 1.62 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.863 -0.608 . . . . 2.07 110.834 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -59.12 -37.9 92.33 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.006 -0.997 . . . . 0.61 113.323 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . 0.467 ' O ' ' HG3' ' A' ' 711' ' ' GLN . 50.0 ttp180 -57.6 -49.68 75.63 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 117.19 0.495 . . . . 4.54 110.143 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.08 -47.05 87.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.841 -0.618 . . . . 1.6 110.329 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -59.7 -43.04 94.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.705 -0.68 . . . . 1.05 111.0 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . 0.506 ' C ' HD21 ' A' ' 710' ' ' ASN . 0.2 OUTLIER -61.66 -50.31 73.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.99 109.749 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 707' ' ' ARG . 21.9 mt-30 -57.77 -53.55 56.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.531 . . . . 1.83 110.81 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -60.74 -35.68 76.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.484 . . . . 0.98 112.03 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -66.19 -42.04 89.41 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.257 0.551 . . . . 3.39 109.995 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -66.51 -28.46 68.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.094 -0.957 . . . . 2.55 110.201 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -87.46 -34.88 18.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.618 -0.719 . . . . 2.17 109.393 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.24 91.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.375 0.607 . . . . 1.05 109.951 175.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -68.31 -40.62 81.64 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.265 -0.88 . . . . 2.16 109.142 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -62.47 -41.27 98.66 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.749 -0.659 . . . . 2.2 110.626 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.7 -50.59 72.69 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.017 -0.538 . . . . 1.07 110.913 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 35.4 m0 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.56 111.371 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 2.9 p90 . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 111.84 0.311 . . . . 1.2 111.84 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 62.1 mtt -69.56 -42.14 74.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.723 0.296 . . . . 1.59 110.758 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 58.5 ttp -69.59 -42.35 74.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.015 0.436 . . . . 1.59 109.983 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.94 -33.47 76.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 1.45 110.967 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -78.02 -34.65 50.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 1.05 110.066 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -59.39 -46.62 88.17 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.364 -0.606 . . . . 3.87 109.364 173.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.54 -48.01 81.38 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.436 -0.802 . . . . 1.89 109.2 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.71 79.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.659 -0.701 . . . . 1.05 111.779 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.29 -39.2 82.16 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 110.042 -0.355 . . . . 1.76 110.042 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 66.0 mtm -68.02 -29.53 68.55 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.409 -0.36 . . . . 1.39 110.283 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.18 -26.75 39.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.737 0.303 . . . . 1.22 110.899 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . 0.538 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 28.6 t80 . . . . . 0 C--N 1.324 -0.526 0 C-N-CA 120.901 -0.32 . . . . 0.99 111.059 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.676 -0.49 . . . . 1.68 109.676 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.37 -32.45 42.15 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.95 2.433 . . . . 0.48 113.338 -179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -67.04 -55.09 15.87 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 120.698 0.285 . . . . 2.21 110.523 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -69.1 -32.4 71.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.673 -0.492 . . . . 3.76 109.673 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 689' ' ' SER . . . . . 0.538 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 32.3 t -55.52 -51.59 66.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.919 -0.582 . . . . 1.54 110.425 176.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.86 -30.59 67.96 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 120.272 -0.966 . . . . 0.2 111.668 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.61 -42.49 95.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.292 0.567 . . . . 1.54 109.82 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 65.1 mt -70.48 -35.44 73.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.076 -0.511 . . . . 1.91 110.682 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . 0.521 ' HH ' ' HZ2' ' A' ' 715' ' ' LYS . 9.6 m-85 -66.82 -36.89 83.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.751 -0.204 . . . . 1.56 111.018 176.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 11.8 p -72.54 -36.34 68.26 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.667 -0.413 . . . . 1.1 110.326 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -63.39 -42.63 98.8 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.398 -0.593 . . . . 2.83 109.398 172.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.25 91.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.638 -0.71 . . . . 1.05 110.899 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.13 -37.01 84.65 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 110.393 -0.225 . . . . 1.05 110.393 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . 0.4 ' HA ' ' HE3' ' A' ' 701' ' ' MET . 42.8 mt-10 -59.76 -50.85 72.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 1.84 109.927 175.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -65.49 -28.33 69.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 1.06 111.175 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.26 -50.46 27.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.195 -0.457 . . . . 1.03 110.815 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 701' ' ' MET . . . . . 0.4 ' HE3' ' HA ' ' A' ' 698' ' ' GLU . 25.5 ptt? -66.89 -29.24 69.08 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.116 -0.328 . . . . 1.32 110.116 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -64.29 -39.04 93.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.968 -0.56 . . . . 2.58 110.299 174.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.61 21.53 3.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.559 -0.746 . . . . 1.11 111.287 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 21.7 mmt 60.21 31.79 20.62 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.301 0.572 . . . . 3.04 111.198 176.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -106.05 71.24 0.88 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.931 -0.577 . . . . 2.07 109.876 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -51.11 -51.68 34.53 Favored Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.496 -0.775 . . . . 0.61 113.679 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -60.72 -41.94 96.28 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 117.031 0.415 . . . . 4.54 110.987 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.22 -48.19 81.1 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.843 -0.429 . . . . 1.6 109.843 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.32 -51.07 70.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 1.05 110.808 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -52.99 -52.71 57.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.867 -0.606 . . . . 1.99 110.944 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -59.14 -55.61 32.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.098 -0.501 . . . . 1.83 111.513 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -57.6 -34.81 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.706 0.262 . . . . 0.98 111.706 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -72.42 -42.33 65.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 119.989 -0.685 . . . . 3.39 110.117 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -64.26 -25.43 68.05 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.481 0.658 . . . . 2.55 110.007 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . 0.521 ' HZ2' ' HH ' ' A' ' 693' ' ' TYR . 24.1 tptm -83.19 -34.56 25.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.437 -0.802 . . . . 2.17 108.945 -179.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -61.2 -48.54 81.07 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.89 -0.595 . . . . 1.05 109.782 171.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.47 -43.76 96.59 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.264 -0.88 . . . . 2.16 110.818 177.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.99 -44.17 94.7 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.12 0.262 . . . . 2.2 110.519 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.61 -51.63 67.93 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.295 -0.412 . . . . 1.07 111.036 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 30.4 m0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.56 111.689 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 9.3 p90 . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 111.974 0.361 . . . . 1.2 111.974 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 13.2 mmt -72.08 -36.26 69.47 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.45 -0.5 . . . . 1.59 110.614 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 60.1 ttp -70.63 -47.02 62.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.223 0.535 . . . . 1.59 109.573 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.12 -36.91 85.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.434 -0.803 . . . . 1.45 110.693 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.6 -34.53 53.47 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 121.089 -0.244 . . . . 1.05 110.372 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -64.77 -42.71 94.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.809 -0.441 . . . . 3.87 109.809 175.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 671' ' ' GLU . . . . . 0.401 ' O ' HD22 ' A' ' 675' ' ' LEU . 26.6 tt0 -66.32 -42.97 87.47 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.404 -0.591 . . . . 1.89 109.404 178.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.52 78.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 1.05 110.93 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -63.44 -44.69 93.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.663 -0.699 . . . . 1.76 110.005 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.0 mtm -71.55 -20.42 62.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.71 -0.677 . . . . 1.39 110.554 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 675' ' ' LEU . . . . . 0.401 HD22 ' O ' ' A' ' 671' ' ' GLU . 3.4 mm? -85.56 -22.77 27.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.514 -0.312 . . . . 1.22 110.611 175.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 676' ' ' PHE . . . . . 0.457 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 24.8 t80 . . . . . 0 C--N 1.325 -0.479 0 C-N-CA 120.949 -0.3 . . . . 0.99 110.935 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.5 t70 . . . . . 0 CA--C 1.531 0.216 0 N-CA-C 109.362 -0.607 . . . . 1.68 109.362 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.02 -31.82 55.32 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.091 2.527 . . . . 0.48 113.763 -177.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -68.87 -54.54 15.06 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.266 0.555 . . . . 2.21 110.367 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -67.72 -34.65 77.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.401 -0.818 . . . . 3.76 109.521 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 689' ' ' SER . . . . . 0.457 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 25.1 t -55.52 -52.4 63.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.523 -0.762 . . . . 1.54 110.437 176.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.45 -32.9 71.82 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.144 -1.026 . . . . 0.2 111.973 -178.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -63.49 -46.59 85.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.048 0.451 . . . . 1.54 109.891 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.13 -36.83 80.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.089 -0.505 . . . . 1.91 110.939 178.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -65.85 -37.73 86.96 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.607 0.241 . . . . 1.56 111.11 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 7.0 p -72.94 -35.75 67.05 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.572 -0.451 . . . . 1.1 110.555 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -66.81 -40.82 88.18 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.261 0.553 . . . . 2.83 109.861 174.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.21 97.38 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.768 -0.651 . . . . 1.05 110.623 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.76 -33.92 76.69 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.884 0.373 . . . . 1.05 110.309 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.7 -48.94 79.68 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.85 -0.614 . . . . 1.84 109.799 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.84 -25.96 65.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 1.06 110.926 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.27 -46.31 50.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 1.03 110.83 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -71.32 -23.77 62.0 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.258 -0.275 . . . . 1.32 110.258 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -60.92 -39.47 89.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.35 0.595 . . . . 2.58 110.027 171.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -83.68 9.84 10.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.455 -0.793 . . . . 1.11 110.302 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 97.8 mmm 59.75 32.31 21.32 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.438 -0.801 . . . . 3.04 111.186 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -102.71 80.43 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.875 -0.602 . . . . 2.07 109.966 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -58.34 -41.54 95.15 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.194 -0.912 . . . . 0.61 113.785 -175.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -62.58 -47.65 82.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 117.032 0.416 . . . . 4.54 110.981 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 36.6 mt -64.87 -44.65 89.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 1.6 110.26 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.39 -45.95 83.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.768 -0.651 . . . . 1.05 110.612 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -64.16 -44.63 91.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 1.99 110.267 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -56.14 -54.25 47.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.968 0.413 . . . . 1.83 110.923 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -64.9 -30.67 71.67 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.177 0.436 . . . . 0.98 112.177 -178.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -68.05 -42.6 80.27 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.343 -0.543 . . . . 3.39 109.681 171.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -61.02 -29.06 69.49 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.485 -0.78 . . . . 2.55 110.345 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.9 tptm -82.85 -34.17 26.89 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.387 -0.824 . . . . 2.17 109.008 -177.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.62 81.87 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.036 -0.529 . . . . 1.05 109.783 172.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -50.75 -53.47 31.36 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.408 -0.814 . . . . 2.16 110.182 173.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -57.83 -43.61 85.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.921 -0.581 . . . . 2.2 111.332 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.0 77.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 1.07 111.276 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 17.9 m0 . . . . . 0 C--N 1.327 -0.404 0 C-N-CA 120.813 -0.355 . . . . 0.56 111.728 -179.379 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 112.004 -0.438 . . . . 15.76 112.004 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 36.1 t -95.21 -56.41 2.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.18 0.514 . . . . 14.46 110.135 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -155.36 131.9 10.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.767 -0.651 . . . . 13.82 109.531 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 52.0 tpp -56.07 121.74 10.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.124 -0.489 . . . . 13.5 110.301 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 13.4 m -117.42 150.92 47.41 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.037 -0.529 . . . . 9.33 110.012 -175.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.19 62.44 6.8 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.626 2.217 . . . . 7.72 112.127 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -74.06 -2.58 24.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.545 -0.752 . . . . 7.07 110.564 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -91.87 47.37 1.34 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.424 -0.807 . . . . 9.7 109.794 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 9.4 m -67.03 -19.28 65.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.622 -0.717 . . . . 4.9 111.635 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -92.92 -13.3 29.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.937 0.399 . . . . 5.04 111.171 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.92 -26.53 64.19 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.507 0.558 . . . . 5.22 112.507 -171.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . 0.42 ' HB3' ' CA ' ' A' ' 706' ' ' GLY . 70.1 p-90 -76.99 -32.48 57.25 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.723 -0.791 . . . . 3.8 110.768 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . 0.433 HD11 ' H ' ' A' ' 635' ' ' LEU . 4.8 mp -69.56 -43.57 72.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.931 -0.766 . . . . 3.53 108.931 174.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.478 ' O ' ' HD1' ' A' ' 640' ' ' TRP . 27.7 tp10 -60.27 -48.21 82.69 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.928 -1.033 . . . . 5.37 110.214 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.3 -48.43 81.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.639 -0.71 . . . . 3.28 111.79 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.64 -20.21 60.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.555 -0.293 . . . . 2.49 111.15 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -72.8 -42.35 63.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 6.23 110.161 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . 0.478 ' HD1' ' O ' ' A' ' 636' ' ' GLU . 74.9 m95 -74.01 -16.6 61.06 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.463 -0.335 . . . . 7.88 110.967 178.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 6.7 t80 67.43 171.08 0.26 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.632 -0.713 . . . . 5.75 110.013 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . 0.464 ' O ' ' HG3' ' A' ' 717' ' ' GLU . 0.2 OUTLIER -147.75 93.36 2.19 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.087 -0.709 . . . . 5.55 109.087 177.522 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 30.1 p -79.56 51.55 1.27 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.837 -0.62 . . . . 4.74 112.537 -173.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . 68.64 -59.92 0.45 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.479 0.712 . . . . 5.98 112.848 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 83.5 mt -84.51 1.81 43.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.92 0.391 . . . . 8.22 111.68 -171.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.425 ' HB2' ' ND2' ' A' ' 642' ' ' ASN . 43.7 mt-10 -89.48 113.57 24.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.455 . . . . 8.8 109.939 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 26.7 ptm -87.54 148.28 24.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.771 0.32 . . . . 12.33 110.197 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 46.4 p -118.66 -169.19 1.67 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.185 -0.461 . . . . 10.68 110.322 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -72.4 -26.26 61.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.762 0.315 . . . . 13.39 111.667 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 34.5 t 61.25 28.77 18.27 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.746 -0.661 . . . . 12.44 110.107 -175.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -76.45 81.76 3.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.742 0.782 . . . . 13.19 111.263 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -126.33 90.12 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.489 -0.778 . . . . 15.45 109.561 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -93.19 -108.59 1.88 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.573 -0.822 . . . . 13.75 112.364 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -150.26 98.1 0.18 Allowed Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.086 -0.578 . . . . 12.43 112.249 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -107.47 117.2 33.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.446 0.641 . . . . 10.98 110.083 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -113.18 89.92 3.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.545 -0.752 . . . . 11.86 110.948 -174.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -171.13 117.54 0.46 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.937 -0.574 . . . . 7.62 110.328 175.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 88.99 -13.05 64.19 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 6.25 112.273 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 28.4 ttt -86.66 65.68 9.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.747 0.784 . . . . 4.16 109.816 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -97.78 48.98 1.02 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.139 -0.937 . . . . 6.77 109.441 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -145.52 148.17 32.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.309 -0.859 . . . . 3.86 109.795 -172.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -80.18 106.61 5.32 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.804 -0.813 . . . . 3.19 108.804 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.45 118.13 5.02 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 121.72 1.613 . . . . 1.1 112.723 -166.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . 0.414 ' O ' HD13 ' A' ' 668' ' ' LEU . 15.2 ptt180 -80.62 -27.48 37.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.131 -0.486 . . . . 3.66 111.506 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . 0.429 ' HH ' ' HD2' ' A' ' 705' ' ' LYS . 7.1 p90 -64.3 -27.41 69.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.535 -0.302 . . . . 1.2 111.747 -175.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 61.0 mtt -73.32 -36.98 66.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.801 0.334 . . . . 1.59 110.23 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 52.9 ttp -68.31 -46.75 69.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.721 -0.474 . . . . 1.59 109.721 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 664' ' ' ARG . 9.7 mp -62.98 -36.88 85.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.426 -0.806 . . . . 1.45 110.916 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -78.76 -32.09 46.46 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.688 0.28 . . . . 1.05 110.466 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . 0.442 ' O ' ' HG3' ' A' ' 674' ' ' MET . 12.9 tpp180 -65.38 -44.43 87.59 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.678 -0.49 . . . . 3.87 109.678 176.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . 0.458 ' O ' HD23 ' A' ' 675' ' ' LEU . 34.7 tt0 -66.11 -42.58 89.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.492 -0.559 . . . . 1.89 109.492 176.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.15 -40.01 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 1.05 111.126 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.56 -39.06 91.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.922 -0.581 . . . . 1.76 109.924 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 674' ' ' MET . . . . . 0.442 ' HG3' ' O ' ' A' ' 670' ' ' ARG . 61.0 mtt -66.36 -29.45 69.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.819 -0.628 . . . . 1.39 110.66 176.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 671' ' ' GLU . 4.6 mm? -85.72 -14.66 44.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.769 0.319 . . . . 1.22 110.499 177.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -85.02 -61.25 1.82 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.317 -0.401 . . . . 0.99 110.801 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 10.2 t -103.77 0.87 30.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.724 0.297 . . . . 1.94 111.637 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 92.19 119.51 2.55 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.325 -0.94 . . . . 1.4 111.522 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -123.8 -158.75 10.23 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.547 -0.835 . . . . 2.46 113.021 -175.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -71.22 83.67 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 5.25 111.28 -175.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 88.14 10.7 68.4 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.744 -0.741 . . . . 1.47 112.055 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -112.02 121.02 43.85 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.116 -0.327 . . . . 1.85 110.116 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -78.18 139.13 38.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.058 -0.519 . . . . 2.83 109.638 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -61.74 124.65 21.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.285 0.564 . . . . 2.24 110.946 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -146.74 101.73 3.95 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.735 -0.666 . . . . 1.68 109.553 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_exo -53.39 -31.42 57.36 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.961 2.441 . . . . 0.48 113.584 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -69.66 -55.18 10.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.554 -0.294 . . . . 2.21 110.385 -176.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -67.42 -34.34 77.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.725 -0.472 . . . . 3.76 109.725 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 17.2 t -55.62 -50.77 69.28 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.683 -0.69 . . . . 1.54 110.326 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.34 -35.63 82.73 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.374 -0.917 . . . . 0.2 112.5 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -65.19 -36.78 85.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.155 0.502 . . . . 1.54 110.487 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 38.1 mt -73.53 -38.3 65.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.258 -0.428 . . . . 1.91 110.687 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -69.32 -34.62 74.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.692 -0.231 . . . . 1.56 111.554 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 21.9 p -69.87 -39.65 76.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.915 0.388 . . . . 1.1 110.173 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -65.27 -42.19 93.46 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.01 -0.541 . . . . 2.83 109.89 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.83 89.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.821 -0.627 . . . . 1.05 110.795 177.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.6 91.64 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.475 0.179 . . . . 1.05 110.901 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . 0.406 ' HA ' ' HE3' ' A' ' 701' ' ' MET . 43.7 mt-10 -59.18 -46.81 87.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 1.84 110.171 177.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . 0.411 ' HB3' ' HB3' ' A' ' 665' ' ' TYR . . . -70.77 -29.14 65.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.807 -0.633 . . . . 1.06 110.974 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.48 -48.84 37.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 1.03 111.172 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 701' ' ' MET . . . . . 0.406 ' HE3' ' HA ' ' A' ' 698' ' ' GLU . 26.6 ptt? -69.02 -23.23 64.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.024 0.44 . . . . 1.32 110.05 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -69.57 -33.05 72.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.822 -0.626 . . . . 2.58 109.994 174.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -87.6 19.43 3.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.666 -0.697 . . . . 1.11 111.152 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 77.9 mtp 68.07 13.57 9.14 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.744 -0.662 . . . . 3.04 111.564 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . 0.429 ' HD2' ' HH ' ' A' ' 665' ' ' TYR . 55.1 mttm -106.61 85.1 2.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.194 0.521 . . . . 2.07 111.233 -178.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . 0.42 ' CA ' ' HB3' ' A' ' 634' ' ' TRP . . . -63.75 -35.17 91.67 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.43 -0.804 . . . . 0.61 113.495 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . 0.414 ' NE ' ' HA ' ' A' ' 707' ' ' ARG . 5.1 tpm_? -60.24 -46.18 90.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.067 0.433 . . . . 4.54 110.745 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 44.3 mt -65.08 -45.26 85.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 1.6 110.597 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.09 -43.76 82.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.972 -0.558 . . . . 1.05 110.489 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -62.49 -49.91 73.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.485 -0.78 . . . . 1.99 111.052 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -61.79 -49.76 75.05 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.673 0.249 . . . . 1.83 111.673 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -60.51 -34.29 73.87 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.895 -0.322 . . . . 0.98 111.266 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -72.18 -37.1 69.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.597 -0.52 . . . . 3.39 109.597 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.28 -31.38 70.18 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.467 -0.788 . . . . 2.55 109.798 174.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -84.71 -31.18 24.2 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.246 -0.888 . . . . 2.17 108.761 -174.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.54 94.82 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.359 -0.837 . . . . 1.05 109.911 175.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 642' ' ' ASN . 78.1 mm-40 -65.48 -43.97 88.58 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.64 -0.709 . . . . 2.16 110.312 177.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -57.85 -43.22 85.74 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.794 0.331 . . . . 2.2 110.935 176.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.07 -49.91 70.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.863 -0.608 . . . . 1.07 110.927 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -76.62 -30.65 56.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.396 -0.366 . . . . 0.56 111.432 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -61.45 -30.34 70.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.988 0.423 . . . . 1.2 111.032 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.61 -17.05 63.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.007 -0.542 . . . . 2.88 111.715 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 96.7 mmm -89.44 -11.56 42.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.574 -0.284 . . . . 2.6 111.137 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -123.27 29.0 6.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.648 0.737 . . . . 4.88 110.262 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 . . . . . 0 C--O 1.246 0.898 0 CA-C-N 115.262 -0.881 . . . . 5.52 109.717 -179.555 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.438 ' HA3' ' CB ' ' A' ' 627' ' ' SER . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 112.019 -0.432 . . . . 15.76 112.019 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 29.1 t -158.17 -40.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.793 0.33 . . . . 14.46 110.426 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -99.36 96.49 7.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 13.82 110.878 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.558 ' O ' ' HA ' ' A' ' 655' ' ' GLU . 20.2 mmt 58.98 23.93 12.07 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.022 -0.535 . . . . 13.5 111.773 177.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.438 ' CB ' ' HA3' ' A' ' 623' ' ' GLY . 5.8 m -80.91 140.33 50.26 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.528 -0.306 . . . . 9.33 110.189 -177.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 627' ' ' SER . 8.9 Cg_exo -73.83 52.5 2.58 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.05 2.5 . . . . 7.72 112.946 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . 0.434 ' HA ' ' HE2' ' A' ' 704' ' ' MET . 9.3 m-20 -66.75 -32.01 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 7.07 110.47 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -82.98 68.44 9.48 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.103 -0.703 . . . . 9.7 109.103 177.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . 0.539 ' HA ' ' NE1' ' A' ' 634' ' ' TRP . 3.6 p -76.84 53.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.364 -0.834 . . . . 4.9 111.298 -176.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -133.57 -55.87 0.89 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.3 -0.863 . . . . 5.04 110.218 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -58.97 6.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.828 -0.624 . . . . 5.22 111.375 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . 0.539 ' NE1' ' HA ' ' A' ' 631' ' ' CYS . 67.8 p-90 -68.03 -22.98 64.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.082 0.468 . . . . 3.8 110.422 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -67.08 -48.97 66.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.753 -0.658 . . . . 3.53 109.384 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.468 ' O ' ' HB3' ' A' ' 639' ' ' HIS . 20.3 tp10 -71.01 -37.0 72.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.602 . . . . 5.37 109.939 177.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.13 87.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.91 -0.586 . . . . 3.28 110.935 177.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.405 ' CD1' ' HA ' ' A' ' 710' ' ' ASN . 41.3 tp -64.06 -33.45 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.889 -0.596 . . . . 2.49 110.765 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . 0.468 ' HB3' ' O ' ' A' ' 636' ' ' GLU . 10.7 t-160 -62.71 -23.02 66.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.494 -0.776 . . . . 6.23 111.15 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -113.22 9.83 18.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.759 0.314 . . . . 7.88 111.224 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -81.14 66.23 6.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.634 0.73 . . . . 5.75 110.193 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.45 60.31 1.01 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.46 -0.791 . . . . 5.55 109.704 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 46.0 p -99.31 -36.69 9.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.853 -0.612 . . . . 4.74 111.552 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . 71.09 -58.93 0.56 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.73 0.812 . . . . 5.98 111.801 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 83.6 mt -94.58 -51.02 4.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.451 0.167 . . . . 8.22 111.451 -174.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.5 107.57 1.41 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.969 0.414 . . . . 8.8 111.08 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -100.37 147.82 25.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.93 -0.577 . . . . 12.33 110.013 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 16.0 m -84.99 73.49 10.68 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.498 0.666 . . . . 10.68 110.038 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -109.8 64.07 0.61 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.489 -0.778 . . . . 13.39 109.751 -177.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 7.0 p -127.78 68.87 1.32 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.323 -0.853 . . . . 12.44 109.127 175.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . 0.402 ' CG ' HH12 ' A' ' 707' ' ' ARG . 17.0 t70 -140.6 145.91 37.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.879 -0.601 . . . . 13.19 112.015 -169.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -128.47 42.04 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.809 -0.632 . . . . 15.45 110.138 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 97.06 95.08 1.88 Allowed Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.131 -0.788 . . . . 13.75 111.131 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -117.29 -102.94 2.24 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.724 -0.75 . . . . 12.43 112.79 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.558 ' HA ' ' O ' ' A' ' 626' ' ' MET . 1.6 mp0 -54.28 115.65 2.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.976 0.417 . . . . 10.98 112.036 -177.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -112.12 80.8 1.37 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.995 -0.742 . . . . 11.86 108.995 171.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -102.35 143.85 31.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.496 -0.774 . . . . 7.62 111.254 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -122.8 75.24 0.37 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.165 -0.54 . . . . 6.25 111.85 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.73 144.59 56.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.978 0.418 . . . . 4.16 110.619 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -98.31 49.74 1.0 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.555 0.693 . . . . 6.77 110.505 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -147.36 131.58 17.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.984 -1.007 . . . . 3.86 109.616 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.13 117.79 43.13 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 107.871 -1.159 . . . . 3.19 107.871 172.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.04 116.17 3.19 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 121.37 1.38 . . . . 1.1 113.083 -162.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -82.43 -31.72 29.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.231 -0.895 . . . . 3.66 110.535 173.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -65.11 -28.36 69.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.681 -0.69 . . . . 1.2 111.673 -174.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 68.4 mtt -73.26 -36.02 66.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.025 0.441 . . . . 1.59 109.954 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 667' ' ' MET . . . . . 0.439 ' HE3' HD13 ' A' ' 668' ' ' LEU . 10.4 tmm? -71.38 -45.97 61.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.93 -0.767 . . . . 1.59 108.93 179.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.439 HD13 ' HE3' ' A' ' 667' ' ' MET . 10.5 mp -59.47 -39.12 82.67 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.829 -0.623 . . . . 1.45 110.733 176.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -74.24 -34.97 63.82 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 120.887 0.375 . . . . 1.05 110.336 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -65.17 -41.89 94.22 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.179 -0.464 . . . . 3.87 109.864 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . 0.479 ' O ' HD22 ' A' ' 675' ' ' LEU . 37.4 tt0 -64.99 -43.94 90.92 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.953 -0.758 . . . . 1.89 108.953 177.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.74 73.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 1.05 111.319 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.02 -39.35 87.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 1.76 110.536 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 72.4 mtm -71.34 -23.65 61.96 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-O 120.78 0.324 . . . . 1.39 110.572 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.479 HD22 ' O ' ' A' ' 671' ' ' GLU . 3.5 mm? -82.78 -27.5 30.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.568 -0.287 . . . . 1.22 110.629 176.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . 0.461 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 32.9 t80 -75.62 -55.03 6.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.709 0.29 . . . . 0.99 111.009 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 77.9 p -87.83 -21.24 25.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.07 0.462 . . . . 1.94 111.229 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 93.49 167.74 38.3 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.525 -1.03 . . . . 1.4 110.525 -173.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -169.41 -170.07 33.49 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.463 -0.875 . . . . 2.46 111.934 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -80.47 73.98 7.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.115 0.483 . . . . 5.25 110.225 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 126.37 -17.49 6.57 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 111.452 -0.659 . . . . 1.47 111.452 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.75 128.34 49.53 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.687 -0.486 . . . . 1.85 109.687 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -91.6 145.82 24.29 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.227 -0.442 . . . . 2.83 110.061 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 20.7 ptmt -72.52 105.33 4.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.4 0.619 . . . . 2.24 111.369 -178.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -128.95 92.98 38.2 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.649 -0.705 . . . . 1.68 110.254 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -52.3 -31.47 46.95 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.909 2.406 . . . . 0.48 113.286 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -55.1 19.19 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.523 -0.547 . . . . 2.21 109.523 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -67.77 -29.4 68.59 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.004 -0.543 . . . . 3.76 109.832 -177.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 689' ' ' SER . . . . . 0.461 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 23.1 t -56.0 -51.51 67.51 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.065 -0.516 . . . . 1.54 110.302 175.611 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.29 -31.74 68.75 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.053 -1.07 . . . . 0.2 111.73 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . 0.563 ' O ' ' HG2' ' A' ' 695' ' ' GLN . 18.1 t70 -60.15 -49.15 78.79 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 109.426 -0.583 . . . . 1.54 109.426 176.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.06 -35.94 79.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.659 -0.701 . . . . 1.91 111.418 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.62 -35.62 77.54 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.707 -0.397 . . . . 1.56 111.238 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 4.8 p -72.14 -38.73 69.16 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.389 -0.525 . . . . 1.1 110.302 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' ' 691' ' ' ASP . 17.0 mm100 -63.77 -41.9 97.89 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.443 -0.577 . . . . 2.83 109.443 175.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -62.88 -40.08 96.42 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.587 -0.733 . . . . 1.05 110.778 176.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.16 82.64 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.624 0.25 . . . . 1.05 110.342 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.69 -51.93 66.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.91 -0.404 . . . . 1.84 109.91 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -63.75 -27.81 69.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 1.06 110.896 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.36 -51.08 18.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.178 -0.464 . . . . 1.03 110.733 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -66.71 -33.02 74.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.614 -0.266 . . . . 1.32 110.886 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -73.89 -26.25 60.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 2.58 110.552 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -88.7 17.2 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 1.11 110.93 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 704' ' ' MET . . . . . 0.434 ' HE2' ' HA ' ' A' ' 629' ' ' ASP . 74.4 mtp 64.64 27.47 13.22 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.861 -0.609 . . . . 3.04 111.576 177.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 708' ' ' LEU . 71.5 mmtt -106.33 74.08 1.01 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.736 0.303 . . . . 2.07 110.473 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . 0.461 ' HA2' ' CZ3' ' A' ' 634' ' ' TRP . . . -52.79 -50.95 47.72 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.718 -0.674 . . . . 0.61 113.627 -178.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . 0.414 ' HB2' ' OE1' ' A' ' 655' ' ' GLU . 18.7 ttm180 -59.35 -45.1 92.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.359 . . . . 4.54 111.305 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 705' ' ' LYS . 4.0 mm? -61.54 -47.32 86.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.5 . . . . 1.6 110.097 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.19 88.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.517 -0.765 . . . . 1.05 110.632 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . 0.405 ' HA ' ' CD1' ' A' ' 638' ' ' LEU . 3.5 t-20 -59.71 -53.69 55.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 1.99 109.855 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -55.17 -58.2 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.354 -0.839 . . . . 1.83 111.063 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -65.37 -31.53 72.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.141 0.423 . . . . 0.98 112.141 -174.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -70.27 -45.61 66.04 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.171 -0.677 . . . . 3.39 109.171 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -66.3 -24.46 66.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.309 -0.86 . . . . 2.55 110.345 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -81.1 -32.23 33.95 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.696 -0.853 . . . . 2.17 108.696 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.9 -49.39 72.86 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.866 -0.606 . . . . 1.05 109.469 171.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -54.23 -46.41 72.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.168 -0.924 . . . . 2.16 110.213 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.6 -44.71 95.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 2.2 110.809 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.35 -45.89 83.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 1.07 111.076 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . 0.433 ' HA ' ' HB2' ' A' ' 723' ' ' MET . 33.7 m0 -76.5 -25.5 54.28 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.78 -0.368 . . . . 0.56 111.775 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -72.72 -29.43 63.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.524 0.678 . . . . 1.2 110.303 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -98.1 15.02 25.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.811 -1.086 . . . . 2.88 110.738 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 723' ' ' MET . . . . . 0.433 ' HB2' ' HA ' ' A' ' 720' ' ' TRP . 14.3 ttt -66.91 62.26 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.424 0.631 . . . . 2.6 112.212 -174.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -152.57 31.63 0.51 Allowed 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.435 -0.95 . . . . 4.88 108.435 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 114.296 -1.32 . . . . 5.52 110.306 -176.683 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.62 ' HA2' ' O ' ' A' ' 656' ' ' TYR . . . . . . . . 0 N--CA 1.483 1.82 0 CA-C-O 120.259 -0.19 . . . . 15.76 112.814 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 16.4 m -64.86 -40.05 94.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.098 0.475 . . . . 14.46 110.264 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . 0.427 ' O ' ' HB2' ' A' ' 626' ' ' MET . 87.0 m-70 -119.82 96.37 5.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.026 -0.533 . . . . 13.82 109.668 175.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' A' ' 625' ' ' HIS . 22.6 mmt 70.74 130.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 O-C-N 124.114 0.884 . . . . 13.5 111.183 -176.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 3.3 p -117.41 82.02 14.6 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.576 -0.738 . . . . 9.33 110.352 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 626' ' ' MET . 8.1 Cg_exo -71.87 76.39 2.03 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.243 2.629 . . . . 7.72 112.188 -178.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.97 -26.32 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.016 -0.538 . . . . 7.07 109.741 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . 0.472 ' O ' ' HG2' ' A' ' 630' ' ' ARG . 28.2 ttt180 -96.41 50.63 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.797 0.808 . . . . 9.7 109.571 175.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 2.5 p -82.97 61.05 5.77 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.454 0.645 . . . . 4.9 109.774 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -134.83 -7.95 2.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.39 -0.823 . . . . 5.04 111.589 -174.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -75.79 -24.61 55.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.76 0.314 . . . . 5.22 110.684 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . 0.407 ' CH2' ' HB2' ' A' ' 701' ' ' MET . 67.8 p-90 -66.14 -26.13 67.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.264 -0.425 . . . . 3.8 110.541 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.07 -45.3 89.37 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.707 -0.479 . . . . 3.53 109.707 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -67.3 -44.08 80.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.561 -0.745 . . . . 5.37 110.184 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.82 98.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.783 -0.644 . . . . 3.28 111.023 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.74 -21.07 59.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 2.49 110.93 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -71.57 -40.29 70.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.931 0.396 . . . . 6.23 110.568 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -92.87 12.0 25.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.992 -0.549 . . . . 7.88 110.996 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -69.28 70.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.69 -0.686 . . . . 5.75 111.215 -176.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -100.85 58.67 0.91 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.478 0.656 . . . . 5.55 109.801 177.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 6.8 t -164.61 139.64 5.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.315 -0.857 . . . . 4.74 110.166 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.82 -12.62 44.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.019 0.437 . . . . 5.98 110.642 177.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 90.6 mt -124.49 112.6 17.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.107 -0.497 . . . . 8.22 110.893 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -141.66 133.83 27.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.812 -0.631 . . . . 8.8 109.556 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 55.4 ttp -84.18 92.54 7.96 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.907 -0.405 . . . . 12.33 109.907 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.92 70.45 1.97 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.169 -0.468 . . . . 10.68 110.978 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -103.58 76.28 1.39 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.206 0.527 . . . . 13.39 110.264 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 73.4 m -146.46 23.02 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.941 -0.572 . . . . 12.44 110.62 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -167.5 129.28 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.363 -0.381 . . . . 13.19 111.481 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -108.48 35.7 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.015 0.435 . . . . 15.45 110.267 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 87.4 41.9 6.36 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.89 -0.671 . . . . 13.75 112.275 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -105.69 -136.59 8.58 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.592 -0.603 . . . . 12.43 111.592 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 50.27 53.38 12.99 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.399 0.619 . . . . 10.98 110.352 -175.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . 0.62 ' O ' ' HA2' ' A' ' 623' ' ' GLY . 67.9 t80 -94.0 75.01 4.13 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.27 0.557 . . . . 11.86 110.709 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -135.44 111.0 9.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.639 -0.71 . . . . 7.62 109.578 175.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 73.85 25.56 71.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.686 -0.769 . . . . 6.25 111.926 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 27.5 ttt -79.65 104.19 10.08 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.185 0.517 . . . . 4.16 110.282 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -53.52 139.15 32.1 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.9 -1.046 . . . . 6.77 111.119 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.32 -28.79 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.167 -0.924 . . . . 3.86 110.694 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -112.5 90.11 13.99 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.766 -0.652 . . . . 3.19 109.259 170.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.01 121.64 6.3 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.077 1.851 . . . . 1.1 112.004 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . 0.422 ' O ' HD13 ' A' ' 668' ' ' LEU . 81.8 mtp180 -69.0 -35.64 76.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.78 -0.645 . . . . 3.66 110.983 -177.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -62.57 -29.69 70.77 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.984 0.364 . . . . 1.2 111.984 -174.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 61.2 mtt -76.6 -40.02 50.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.768 0.318 . . . . 1.59 110.632 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -69.68 -42.67 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.956 -0.757 . . . . 1.59 108.956 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 664' ' ' ARG . 7.1 mp -62.4 -39.56 93.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.234 -0.894 . . . . 1.45 110.78 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.18 -35.68 61.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 120.834 -0.347 . . . . 1.05 110.578 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 47.6 ttp85 -67.16 -38.07 84.85 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.508 -0.553 . . . . 3.87 109.508 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.72 -45.48 82.54 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.05 -0.722 . . . . 1.89 109.05 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -57.0 -39.15 74.15 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.804 -0.634 . . . . 1.05 111.064 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.13 -41.69 97.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 1.76 110.488 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 75.8 mtm -70.34 -24.53 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 1.39 110.429 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.557 HD12 ' NH1' ' A' ' 688' ' ' ARG . 3.5 mm? -80.21 -30.19 38.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.856 0.36 . . . . 1.22 110.842 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . 0.476 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 24.7 t80 -81.36 -51.01 8.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.461 -0.336 . . . . 0.99 111.473 -178.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 41.4 p -93.22 -16.35 24.9 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.38 0.511 . . . . 1.94 112.38 -175.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 99.21 124.91 5.28 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.547 -0.835 . . . . 1.4 111.362 -176.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -134.5 178.08 18.72 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.543 -0.837 . . . . 2.46 112.481 -176.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -67.76 92.94 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.278 0.561 . . . . 5.25 111.121 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 96.35 -0.2 61.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.881 -0.676 . . . . 1.47 111.782 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -112.12 125.97 54.68 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.673 -0.491 . . . . 1.85 109.673 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . 0.45 ' O ' HD13 ' A' ' 675' ' ' LEU . 3.1 pm0 -80.08 169.44 17.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.083 0.468 . . . . 2.83 110.355 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 88.1 tttt -96.42 103.79 15.72 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.858 -0.61 . . . . 2.24 109.799 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -136.85 98.91 10.43 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.049 -0.523 . . . . 1.68 110.355 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.7 -31.76 62.2 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.918 2.412 . . . . 0.48 113.066 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -66.73 -53.92 28.32 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 110.052 -0.351 . . . . 2.21 110.052 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . 0.557 ' NH1' HD12 ' A' ' 675' ' ' LEU . 25.3 ttm180 -68.48 -33.91 75.0 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.573 -0.528 . . . . 3.76 109.573 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 689' ' ' SER . . . . . 0.476 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 22.0 t -54.78 -53.14 59.05 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.08 -0.509 . . . . 1.54 110.262 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.05 -31.27 72.16 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.196 -1.002 . . . . 0.2 111.839 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.35 -45.29 93.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.196 0.522 . . . . 1.54 110.048 176.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 60.1 mt -71.4 -34.24 70.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.725 -0.671 . . . . 1.91 110.716 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -69.18 -37.31 78.09 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.978 -0.289 . . . . 1.56 111.393 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 8.3 p -73.37 -36.07 66.04 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.726 -0.39 . . . . 1.1 110.355 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -65.38 -41.49 93.7 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.178 -0.675 . . . . 2.83 109.178 174.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.16 96.39 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.643 -0.708 . . . . 1.05 110.814 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.04 -35.74 80.54 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.863 0.363 . . . . 1.05 110.142 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.06 -47.89 82.69 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.972 -0.558 . . . . 1.84 109.807 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.35 -27.25 66.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.018 0.437 . . . . 1.06 110.878 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.23 -49.36 35.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.161 -0.472 . . . . 1.03 110.723 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 701' ' ' MET . . . . . 0.407 ' HB2' ' CH2' ' A' ' 634' ' ' TRP . 26.1 ptt? -68.22 -28.55 67.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.995 0.426 . . . . 1.32 109.946 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -65.55 -40.69 93.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.86 -0.609 . . . . 2.58 110.193 175.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -90.28 17.85 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.689 -0.687 . . . . 1.11 111.891 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 50.8 ttm 62.78 49.57 3.66 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.406 0.622 . . . . 3.04 110.777 176.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -124.94 85.07 2.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.198 -0.455 . . . . 2.07 110.066 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -60.54 -52.17 54.22 Favored Glycine 0 CA--C 1.518 0.276 0 CA-C-N 115.936 -0.575 . . . . 0.61 113.288 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 35.5 ttp85 -61.85 -39.06 90.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.986 0.393 . . . . 4.54 111.056 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.7 -49.07 74.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.456 -0.338 . . . . 1.6 110.142 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.74 -48.37 81.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.875 -0.602 . . . . 1.05 110.769 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -57.36 -52.65 64.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.972 -0.558 . . . . 1.99 110.329 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -55.14 -55.42 31.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.881 0.372 . . . . 1.83 111.301 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -62.5 -32.08 72.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.07 0.396 . . . . 0.98 112.07 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -72.57 -37.81 68.08 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.218 -0.593 . . . . 3.39 109.813 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -66.38 -27.63 68.01 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.657 0.741 . . . . 2.55 109.847 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -83.5 -32.13 26.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.11 -0.95 . . . . 2.17 109.108 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.32 -48.18 76.59 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 109.573 -0.529 . . . . 1.05 109.573 171.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -51.41 -52.61 44.53 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.219 -0.901 . . . . 2.16 110.141 173.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.34 -42.99 96.84 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.403 -0.362 . . . . 2.2 111.462 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.62 74.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.697 0.284 . . . . 1.07 111.064 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -76.64 -31.99 57.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.312 -0.404 . . . . 0.56 111.881 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -70.35 -44.84 67.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.968 0.413 . . . . 1.2 111.159 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -89.68 -57.79 2.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.148 -0.478 . . . . 2.88 110.811 -174.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 68.1 mtm 63.55 -63.9 0.13 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.636 0.774 . . . . 2.6 112.085 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.99 77.08 4.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.394 0.616 . . . . 4.88 111.458 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.825 -0.607 . . . . 5.52 109.575 176.245 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.8 -0.52 . . . . 15.76 111.8 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 22.6 m -73.64 97.54 2.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.098 0.475 . . . . 14.46 110.637 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -130.81 150.29 52.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 13.82 109.715 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.472 ' O ' ' HA ' ' A' ' 655' ' ' GLU . 3.3 mmt -65.82 146.82 54.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.909 0.385 . . . . 13.5 110.079 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 1.6 p -135.48 156.01 78.07 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.887 -0.597 . . . . 9.33 109.69 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -75.05 53.49 3.37 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.678 2.252 . . . . 7.72 112.406 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.46 -35.42 79.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.318 0.58 . . . . 7.07 109.889 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -90.43 43.19 1.13 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.716 -0.674 . . . . 9.7 110.498 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . 0.55 ' HB2' ' SD ' ' A' ' 704' ' ' MET . 23.0 p -79.34 47.4 0.8 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.092 0.473 . . . . 4.9 110.829 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -131.45 -33.51 1.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.993 -0.549 . . . . 5.04 111.708 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -62.07 -28.25 69.48 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 120.598 0.237 . . . . 5.22 111.452 -177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . 0.57 ' CD2' ' HA3' ' A' ' 706' ' ' GLY . 62.5 p-90 -70.33 -26.44 63.76 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.67 -0.412 . . . . 3.8 111.039 -176.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 5.8 mp -70.35 -41.12 73.57 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.589 -0.522 . . . . 3.53 109.589 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.31 -45.52 80.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.294 -0.866 . . . . 5.37 109.916 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.43 89.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.453 -0.794 . . . . 3.28 110.824 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 29.2 tp -63.88 -33.08 74.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.513 -0.767 . . . . 2.49 110.64 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -63.87 -45.19 90.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.03 -0.532 . . . . 6.23 111.163 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -83.32 -18.59 38.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.65 -0.25 . . . . 7.88 111.39 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 51.21 65.48 1.47 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.113 0.482 . . . . 5.75 111.123 -176.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -80.65 53.35 1.86 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.466 0.651 . . . . 5.55 109.782 177.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 643' ' ' THR . . . . . 0.491 ' HB ' ' HB2' ' A' ' 717' ' ' GLU . 17.4 p -65.57 131.06 45.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.5 -0.773 . . . . 4.74 111.768 -174.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . 72.66 -27.8 0.19 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.982 0.913 . . . . 5.98 112.281 178.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . 0.447 ' H ' ' C ' ' A' ' 643' ' ' THR . 90.8 mt -86.89 -31.6 20.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.532 -0.304 . . . . 8.22 111.086 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.424 ' HG2' HD22 ' A' ' 710' ' ' ASN . 9.7 tp10 -71.77 151.04 43.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.027 0.442 . . . . 8.8 110.271 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 38.9 tpp -112.84 95.95 5.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.803 -0.635 . . . . 12.33 110.126 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.8 p -83.99 70.23 10.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.233 0.54 . . . . 10.68 111.09 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -92.6 67.75 4.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.684 -0.689 . . . . 13.39 109.568 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . 0.404 ' CB ' ' HD2' ' A' ' 707' ' ' ARG . 35.7 m -135.65 132.43 37.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.506 -0.77 . . . . 12.44 110.612 -176.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -82.14 152.76 26.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.861 -0.422 . . . . 13.19 109.861 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . 0.424 ' CD ' HH21 ' A' ' 707' ' ' ARG . 80.0 mm-40 -108.67 19.55 19.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.108 0.48 . . . . 15.45 110.303 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -93.16 -55.57 1.58 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.724 -0.75 . . . . 13.75 112.503 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -59.34 -39.54 94.86 Favored Glycine 0 C--N 1.328 0.118 0 C-N-CA 121.275 -0.488 . . . . 12.43 112.946 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.476 ' CD ' HH22 ' A' ' 707' ' ' ARG . 35.5 tt0 -75.87 86.58 2.84 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.246 0.546 . . . . 10.98 110.226 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -79.97 81.79 6.17 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.641 -0.709 . . . . 11.86 109.355 177.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -83.9 151.63 24.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.342 -0.844 . . . . 7.62 110.669 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -81.48 47.81 3.7 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.566 -0.614 . . . . 6.25 111.566 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 659' ' ' MET . . . . . 0.412 ' H ' ' HG3' ' A' ' 659' ' ' MET . 3.3 ppp? -72.85 164.55 26.44 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.373 -0.414 . . . . 4.16 111.344 -179.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -57.58 125.92 25.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.571 -0.74 . . . . 6.77 110.479 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.39 -21.72 66.73 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.205 -0.452 . . . . 3.86 110.962 -173.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -114.43 88.1 15.08 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.443 -0.577 . . . . 3.19 109.443 169.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -79.94 120.62 4.27 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.012 1.808 . . . . 1.1 112.073 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . 0.482 ' O ' HD12 ' A' ' 668' ' ' LEU . 18.7 ptt180 -79.13 -27.53 42.84 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.361 -0.535 . . . . 3.66 111.086 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -63.32 -35.14 79.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.601 0.239 . . . . 1.2 111.371 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 55.7 mtt -71.76 -33.18 68.43 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.931 -0.308 . . . . 1.59 110.428 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 667' ' ' MET . . . . . 0.444 ' HG3' ' NH2' ' A' ' 670' ' ' ARG . 56.7 ttp -70.56 -45.06 66.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.045 0.45 . . . . 1.59 109.922 177.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 664' ' ' ARG . 10.9 mp -62.7 -36.16 82.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 1.45 110.552 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.98 -34.42 59.78 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.054 -0.35 . . . . 1.05 110.054 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . 0.444 ' NH2' ' HG3' ' A' ' 667' ' ' MET . 50.9 ttp180 -63.68 -45.32 90.64 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.96 -0.564 . . . . 3.87 109.77 175.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.51 -44.78 95.52 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.478 -0.783 . . . . 1.89 109.008 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.2 91.02 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.333 -0.848 . . . . 1.05 111.46 177.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.91 -40.03 94.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.982 0.42 . . . . 1.76 110.64 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 87.8 mtp -72.5 -28.45 62.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.139 -0.482 . . . . 1.39 110.643 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.65 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 29.6 mt -84.73 -17.14 39.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.628 -0.26 . . . . 1.22 111.594 178.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -76.03 -43.15 45.4 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.696 -0.402 . . . . 0.99 110.521 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 37.9 p -90.92 -33.21 15.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.929 0.395 . . . . 1.94 110.93 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 82.22 -166.32 46.01 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.849 -0.614 . . . . 1.4 112.133 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 94.85 153.26 30.12 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 121.082 -0.58 . . . . 2.46 112.732 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 54.79 43.23 30.38 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.92 0.488 . . . . 5.25 111.972 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 103.07 -21.13 40.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.792 -0.718 . . . . 1.47 112.651 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.24 129.62 37.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.954 0.406 . . . . 1.85 110.487 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -89.49 118.71 29.34 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.457 -0.572 . . . . 2.83 109.457 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . 0.65 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 19.0 ptmt -67.66 118.83 11.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.552 0.691 . . . . 2.24 110.429 -177.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -143.36 98.84 5.41 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.42 -0.809 . . . . 1.68 110.302 -176.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.95 -32.88 59.58 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.245 2.63 . . . . 0.48 113.547 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -68.66 -51.14 45.21 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.746 -0.465 . . . . 2.21 109.746 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -63.51 -37.68 88.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.719 -0.673 . . . . 3.76 109.234 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 18.3 m -56.77 -50.25 72.86 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.904 -1.044 . . . . 1.54 110.883 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.66 -33.88 77.13 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.278 -0.963 . . . . 0.2 112.122 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 3.7 m-20 -60.96 -46.8 89.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 1.54 110.013 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 41.5 mt -69.43 -37.0 77.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.272 -0.422 . . . . 1.91 111.28 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -65.0 -38.48 91.11 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.954 -0.298 . . . . 1.56 111.221 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 12.7 p -72.43 -38.95 68.21 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.717 -0.393 . . . . 1.1 110.479 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 79.2 mt-30 -63.34 -43.37 97.91 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.296 0.57 . . . . 2.83 109.515 175.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.18 95.0 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.387 -0.824 . . . . 1.05 110.823 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.47 93.53 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.873 0.368 . . . . 1.05 110.7 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . 0.419 ' HA ' ' HE3' ' A' ' 701' ' ' MET . 36.7 tt0 -60.53 -45.57 93.37 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.873 -0.603 . . . . 1.84 109.781 177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.15 69.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 1.06 111.042 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -69.53 -48.25 61.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.999 -0.546 . . . . 1.03 110.785 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 701' ' ' MET . . . . . 0.453 ' HB3' ' CB ' ' A' ' 709' ' ' ALA . 25.9 ptt? -72.08 -25.14 61.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.342 -0.39 . . . . 1.32 110.686 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.59 -29.31 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.171 0.51 . . . . 2.58 109.878 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -90.45 20.24 4.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.918 -0.583 . . . . 1.11 111.055 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 704' ' ' MET . . . . . 0.55 ' SD ' ' HB2' ' A' ' 631' ' ' CYS . 47.5 tpp 69.47 -2.84 1.77 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.521 0.677 . . . . 3.04 111.321 177.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -87.1 53.24 2.76 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.457 -0.571 . . . . 2.07 109.457 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . 0.57 ' HA3' ' CD2' ' A' ' 634' ' ' TRP . . . -60.7 -24.7 62.54 Favored Glycine 0 C--O 1.226 -0.349 0 CA-C-N 115.483 -0.781 . . . . 0.61 113.567 -176.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . 0.476 HH22 ' CD ' ' A' ' 655' ' ' GLU . 41.4 ttp180 -62.63 -45.45 92.79 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.721 -0.474 . . . . 4.54 109.721 175.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.36 -44.12 95.87 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.753 -0.658 . . . . 1.6 109.839 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 701' ' ' MET . . . -55.45 -54.09 48.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.341 -0.845 . . . . 1.05 111.175 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . 0.424 HD22 ' HG2' ' A' ' 646' ' ' GLU . 60.4 t30 -57.3 -43.81 83.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 1.99 110.536 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -57.73 -52.76 64.13 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.681 0.277 . . . . 1.83 111.197 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -61.16 -30.54 70.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.793 0.294 . . . . 0.98 111.793 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.51 -41.27 76.27 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.28 0.562 . . . . 3.39 109.864 173.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.28 -31.05 71.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.445 -0.798 . . . . 2.55 109.378 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -82.32 -37.27 26.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.229 -0.896 . . . . 2.17 108.83 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -61.63 -45.44 94.05 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.154 -0.475 . . . . 1.05 110.195 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . 0.491 ' HB2' ' HB ' ' A' ' 643' ' ' THR . 8.0 tp10 -63.26 -42.04 99.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.759 -0.655 . . . . 2.16 109.61 178.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.4 -43.79 92.91 Favored 'General case' 0 C--N 1.335 -0.053 0 CA-C-N 116.199 -0.455 . . . . 2.2 110.743 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.08 -51.27 66.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 1.07 110.925 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 24.2 m0 -73.76 -25.97 60.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 0.56 112.044 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -74.62 -41.93 59.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.753 0.311 . . . . 1.2 111.527 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -85.24 -57.55 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.246 -0.434 . . . . 2.88 110.531 -176.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 71.2 mtm 46.85 35.5 3.25 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.337 0.398 . . . . 2.6 112.035 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -169.21 77.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.373 0.606 . . . . 4.88 110.567 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--O 1.246 0.872 0 N-CA-C 108.492 -0.929 . . . . 5.52 108.492 176.156 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.683 -0.567 . . . . 15.76 111.683 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 656' ' ' TYR . 7.2 p -82.89 65.58 8.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.33 0.586 . . . . 14.46 111.157 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -80.61 -12.68 59.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.734 -0.666 . . . . 13.82 110.237 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.534 ' HB2' ' H ' ' A' ' 656' ' ' TYR . 83.9 mmm -127.79 73.03 1.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.996 -0.547 . . . . 13.5 110.525 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 52.1 p -71.22 138.5 84.4 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.862 -0.608 . . . . 9.33 109.483 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -73.26 60.47 3.98 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.119 2.546 . . . . 7.72 112.48 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -70.85 -32.53 69.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.836 -0.62 . . . . 7.07 109.602 177.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -82.76 43.42 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.465 -0.789 . . . . 9.7 110.21 174.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 4.2 p -60.21 -24.19 64.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 4.9 111.352 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -55.04 -27.75 46.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.463 -0.335 . . . . 5.04 111.401 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.31 -45.13 92.77 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.851 0.686 . . . . 5.22 112.851 -174.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . 0.413 ' HB3' ' CA ' ' A' ' 706' ' ' GLY . 54.4 p-90 -70.11 -29.38 66.32 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 119.683 -0.807 . . . . 3.8 111.535 -172.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 6.2 mp -60.3 -47.05 87.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.412 -0.588 . . . . 3.53 109.412 174.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -73.42 -41.4 63.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.326 -0.852 . . . . 5.37 110.758 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . 0.574 ' O ' ' HB2' ' A' ' 641' ' ' TYR . . . -58.69 -43.87 90.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.065 -0.516 . . . . 3.28 111.222 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 9.5 mp -77.84 -11.37 59.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.791 0.329 . . . . 2.49 111.252 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -94.26 -39.54 10.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.576 -0.284 . . . . 6.23 111.276 -176.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -101.5 2.88 39.66 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.113 0.412 . . . . 7.88 112.113 -174.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . 0.574 ' HB2' ' O ' ' A' ' 637' ' ' ALA . 4.4 t80 -87.19 67.69 9.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.265 0.555 . . . . 5.75 110.126 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -93.2 -11.28 33.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.785 -0.643 . . . . 5.55 109.953 176.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.1 t -115.52 125.77 53.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.559 -0.746 . . . . 4.74 109.86 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -63.83 -23.05 67.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 5.98 111.704 -175.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.55 12.91 25.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.251 -0.431 . . . . 8.22 112.109 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.554 ' HB3' ' CE2' ' A' ' 641' ' ' TYR . 0.1 OUTLIER -60.55 128.22 35.55 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.408 -0.59 . . . . 8.8 109.408 177.521 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 64.2 mtt -91.74 63.61 4.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.231 0.538 . . . . 12.33 110.387 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.73 78.03 9.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.717 -0.674 . . . . 10.68 110.324 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -88.63 74.22 8.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.259 0.552 . . . . 13.39 110.067 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 5.1 p -86.77 50.26 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.383 0.611 . . . . 12.44 110.748 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -107.25 122.53 46.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.922 -0.581 . . . . 13.19 111.386 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -126.46 42.37 3.32 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.342 -0.614 . . . . 15.45 109.342 175.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 92.46 43.92 4.15 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.573 -0.739 . . . . 13.75 111.772 -176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 78.79 -175.44 54.98 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 121.032 -0.604 . . . . 12.43 112.413 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -133.02 69.66 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.759 0.79 . . . . 10.98 109.484 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . 0.534 ' H ' ' HB2' ' A' ' 626' ' ' MET . 87.9 m-85 -85.01 106.47 16.53 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.098 -0.955 . . . . 11.86 110.9 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -144.96 136.53 25.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.049 -0.523 . . . . 7.62 110.335 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -99.41 68.15 0.58 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.049 -0.596 . . . . 6.25 112.363 -176.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.97 170.85 7.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.995 0.426 . . . . 4.16 111.213 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . 0.443 ' O ' ' HB2' ' A' ' 661' ' ' ASP . 44.6 mt-30 -77.62 149.26 34.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.917 -0.583 . . . . 6.77 110.215 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 660' ' ' GLN . 14.9 m-20 72.31 146.81 0.08 Allowed 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.874 0.734 . . . . 3.86 111.2 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -65.07 144.59 99.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.692 -0.686 . . . . 3.19 109.188 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -69.76 113.53 3.4 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 120.455 0.77 . . . . 1.1 111.224 -176.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -85.46 -21.89 28.5 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.712 -0.676 . . . . 3.66 111.461 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -63.27 -24.92 68.08 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.079 -0.509 . . . . 1.2 111.179 -177.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 58.0 mtt -71.57 -37.33 71.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.105 0.479 . . . . 1.59 110.045 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 53.3 ttp -69.47 -44.36 71.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.002 -0.545 . . . . 1.59 109.561 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.7 -33.05 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.724 -0.671 . . . . 1.45 110.926 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.39 -32.38 54.79 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 110.061 -0.348 . . . . 1.05 110.061 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -63.44 -42.66 98.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.196 0.522 . . . . 3.87 109.628 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -64.2 -46.9 81.86 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.874 -0.788 . . . . 1.89 108.874 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . 0.423 ' HB3' ' HB3' ' A' ' 692' ' ' LEU . . . -56.65 -40.74 75.99 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.385 -0.825 . . . . 1.05 111.136 176.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -62.46 -44.02 97.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 1.76 110.073 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.1 mtm -67.95 -27.31 66.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.524 . . . . 1.39 111.071 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.9 mm? -85.05 -26.61 26.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.62 0.248 . . . . 1.22 111.109 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . 0.404 ' O ' ' HE2' ' A' ' 684' ' ' LYS . 50.2 t80 -81.5 -58.92 2.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.555 -0.293 . . . . 0.99 111.233 -177.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 19.6 p -89.68 -14.71 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.99 0.424 . . . . 1.94 111.467 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 82.2 168.78 42.33 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.878 -0.601 . . . . 1.4 112.363 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 114.93 173.73 17.95 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.643 -0.789 . . . . 2.46 111.996 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 56.69 27.77 13.13 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.885 0.474 . . . . 5.25 111.83 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 92.23 -4.41 77.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.597 -0.811 . . . . 1.47 112.768 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -96.19 134.88 38.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.681 0.277 . . . . 1.85 110.616 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -92.88 133.11 36.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.069 -0.715 . . . . 2.83 109.069 173.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 14.6 ptmm? -69.2 134.4 49.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.289 0.566 . . . . 2.24 111.421 -173.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -147.9 106.34 3.68 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.356 -0.838 . . . . 1.68 109.485 177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -52.42 -30.84 45.37 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.211 2.608 . . . . 0.48 113.763 -176.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . 0.421 ' HA ' ' HE1' ' A' ' 720' ' ' TRP . 0.9 OUTLIER -72.26 -50.15 29.48 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.835 -0.431 . . . . 2.21 109.835 -177.447 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -68.58 -31.84 71.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.448 -0.575 . . . . 3.76 109.448 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 20.1 m -54.85 -51.12 66.91 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.443 -0.799 . . . . 1.54 110.124 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.5 -32.88 75.72 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.261 -0.971 . . . . 0.2 112.077 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -59.17 -51.27 70.72 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.089 0.471 . . . . 1.54 109.742 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . 0.423 ' HB3' ' HB3' ' A' ' 672' ' ' ALA . 3.2 mm? -69.5 -34.49 74.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 1.91 111.364 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -68.5 -39.1 81.4 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.809 -0.356 . . . . 1.56 111.333 177.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 13.2 p -71.65 -37.22 70.85 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.621 -0.432 . . . . 1.1 110.085 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -67.3 -37.71 83.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 2.83 110.12 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -63.46 -38.91 92.97 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.306 -0.406 . . . . 1.05 110.605 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.9 -36.0 79.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.925 0.393 . . . . 1.05 110.037 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.8 -45.77 92.4 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.786 -0.643 . . . . 1.84 109.9 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.8 -28.85 67.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.181 0.515 . . . . 1.06 110.684 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.63 -48.88 52.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.831 -0.622 . . . . 1.03 110.283 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -70.19 -25.25 63.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 1.32 110.23 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.96 -42.94 89.27 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.305 0.574 . . . . 2.58 109.87 171.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -82.43 17.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.46 -0.791 . . . . 1.11 111.13 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 98.1 mmm 57.61 44.62 20.54 Favored 'General case' 0 CA--C 1.523 -0.084 0 CA-C-N 115.746 -0.661 . . . . 3.04 110.505 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -122.23 78.02 1.45 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.491 -0.777 . . . . 2.07 109.633 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . 0.413 ' CA ' ' HB3' ' A' ' 634' ' ' TRP . . . -64.12 -40.16 97.83 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.397 -0.82 . . . . 0.61 113.495 -175.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -66.51 -43.43 85.27 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 117.262 0.531 . . . . 4.54 110.492 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.11 -45.46 94.59 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.004 -0.544 . . . . 1.6 109.857 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -56.74 -46.96 81.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.284 -0.871 . . . . 1.05 110.789 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -58.45 -50.1 74.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 1.99 110.872 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . 0.458 ' O ' ' HB3' ' A' ' 714' ' ' GLN . 8.5 tt0 -59.43 -54.55 45.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.78 0.324 . . . . 1.83 111.697 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -62.13 -32.12 72.67 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.652 -0.419 . . . . 0.98 111.557 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -71.26 -36.37 71.72 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.277 -0.638 . . . . 3.39 109.277 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . 0.458 ' HB3' ' O ' ' A' ' 711' ' ' GLN . 3.2 tt0 -60.49 -35.18 75.32 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.535 -0.757 . . . . 2.55 110.377 173.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -81.98 -30.24 31.72 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.882 -0.784 . . . . 2.17 108.882 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.54 -51.45 59.8 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.033 -0.53 . . . . 1.05 110.229 173.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -58.33 -46.04 86.94 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.564 -0.743 . . . . 2.16 110.113 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.64 -41.16 97.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 2.2 110.758 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.16 -53.5 57.39 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.438 -0.346 . . . . 1.07 110.916 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . 0.421 ' HE1' ' HA ' ' A' ' 687' ' ' GLN . 22.4 m0 -70.08 -35.39 74.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.449 -0.341 . . . . 0.56 111.425 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -68.64 -36.91 79.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.684 -0.234 . . . . 1.2 111.478 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -85.83 -60.68 1.95 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.396 -0.522 . . . . 2.88 111.35 -177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 69.3 mtm 35.48 44.78 0.2 Allowed 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.756 0.66 . . . . 2.6 111.894 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -164.58 76.97 0.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.465 0.65 . . . . 4.88 109.816 -173.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . 0.457 ' HG2' ' OXT' ' A' ' 725' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.034 -0.984 . . . . 5.52 110.151 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 111.985 -0.446 . . . . 15.76 111.985 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 15.1 m -75.99 124.24 27.05 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.916 0.388 . . . . 14.46 110.568 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -107.73 105.06 14.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.326 0.584 . . . . 13.82 110.024 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 96.1 mmm -82.61 71.51 9.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.08 -0.509 . . . . 13.5 110.403 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 15.4 m -62.7 133.99 95.19 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.963 -0.562 . . . . 9.33 109.664 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . 0.413 ' HB3' ' HG3' ' A' ' 655' ' ' GLU . 58.2 Cg_endo -72.82 69.81 3.62 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.043 2.495 . . . . 7.72 113.313 -174.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -71.7 -36.47 70.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.846 -0.616 . . . . 7.07 109.803 175.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -105.24 89.08 3.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.59 -0.732 . . . . 9.7 109.608 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 2.0 p -125.79 57.74 1.35 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.083 -0.508 . . . . 4.9 110.801 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -133.25 11.19 4.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 5.04 111.746 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -95.98 -20.13 18.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.078 0.466 . . . . 5.22 110.879 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . . . . . . . . . 41.6 p-90 -65.93 -17.49 64.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.694 -0.685 . . . . 3.8 110.999 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.42 -25.85 62.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 3.53 111.036 177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 639' ' ' HIS . 13.6 tp10 -66.15 -32.57 74.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.103 0.477 . . . . 5.37 110.278 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -68.63 -40.42 80.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.369 0.604 . . . . 3.28 110.226 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.405 HD22 ' CE2' ' A' ' 713' ' ' TYR . 10.3 mp -77.04 -10.55 59.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.709 -0.678 . . . . 2.49 111.083 176.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . 0.401 ' HB3' ' O ' ' A' ' 636' ' ' GLU . 16.3 t-160 -69.93 -38.02 76.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.985 -0.552 . . . . 6.23 111.022 -176.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 11.9 p-90 -98.82 -29.64 12.86 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.462 -0.495 . . . . 7.88 111.713 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 58.7 -170.2 0.12 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.178 0.436 . . . . 5.75 112.178 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 8.0 t30 59.49 75.17 0.41 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.61 0.719 . . . . 5.55 110.1 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 7.3 t -147.11 58.76 1.17 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.367 -0.833 . . . . 4.74 110.359 -175.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -79.3 -51.8 8.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.726 -0.67 . . . . 5.98 111.396 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 81.9 mt -96.94 -27.64 14.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.089 0.471 . . . . 8.22 110.496 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -77.7 149.62 34.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.868 -0.789 . . . . 8.8 108.868 174.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 50.3 tpp -109.12 131.03 55.46 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.856 0.36 . . . . 12.33 110.795 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 11.3 p -93.26 76.97 4.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.147 -0.479 . . . . 10.68 110.755 176.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -77.11 72.03 3.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 13.39 111.254 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 11.6 p -88.26 29.25 0.98 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.551 0.691 . . . . 12.44 109.964 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -77.71 91.29 4.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.089 -0.959 . . . . 13.19 110.38 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -135.46 47.63 2.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.913 -0.585 . . . . 15.45 110.175 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -153.76 -68.46 0.01 OUTLIER Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.872 -0.68 . . . . 13.75 112.089 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 141.91 -45.23 0.95 Allowed Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.943 -0.863 . . . . 12.43 110.943 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.413 ' HG3' ' HB3' ' A' ' 628' ' ' PRO . 4.5 mp0 55.04 46.38 24.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 114.934 -0.633 . . . . 10.98 111.82 172.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -96.64 96.26 8.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.717 -0.674 . . . . 11.86 109.428 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -131.25 -67.82 0.69 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.802 -0.635 . . . . 7.62 110.084 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 61.65 56.21 24.31 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.829 -0.623 . . . . 6.25 112.369 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.31 89.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.967 0.413 . . . . 4.16 110.6 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -88.38 51.35 2.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.78 0.8 . . . . 6.77 110.141 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -104.41 -91.08 0.38 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.234 -1.024 . . . . 3.86 108.234 175.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 662' ' ' GLU . 10.9 pt-20 -128.86 84.67 62.39 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.016 0.436 . . . . 3.19 110.673 165.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -81.28 116.57 3.04 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 121.218 1.278 . . . . 1.1 111.073 172.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 664' ' ' ARG . 7.5 ptp180 -83.13 -25.51 31.86 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.463 -0.495 . . . . 3.66 111.17 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . 0.456 ' CE2' ' HG3' ' A' ' 666' ' ' MET . 32.2 p90 -66.51 -29.53 69.65 Favored 'General case' 0 C--O 1.227 -0.096 0 C-N-CA 121.053 -0.259 . . . . 1.2 110.868 -176.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.456 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 67.4 mtt -70.7 -37.05 73.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.96 0.409 . . . . 1.59 109.959 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 58.7 ttp -69.6 -46.79 65.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.693 -0.685 . . . . 1.59 109.758 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.14 -35.42 81.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.537 -0.756 . . . . 1.45 110.965 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.63 -32.27 57.92 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.842 0.353 . . . . 1.05 110.322 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -64.71 -42.24 95.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.747 -0.464 . . . . 3.87 109.747 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . 0.404 ' O ' HD23 ' A' ' 675' ' ' LEU . 25.2 tt0 -65.63 -44.88 85.08 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.872 -0.604 . . . . 1.89 109.416 177.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . 0.433 ' HB1' ' HB3' ' A' ' 692' ' ' LEU . . . -53.8 -43.52 69.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.99 -0.55 . . . . 1.05 111.616 175.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.07 -37.7 86.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.957 0.408 . . . . 1.76 110.13 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.4 mtm -73.18 -22.88 60.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 1.39 110.813 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 671' ' ' GLU . 3.8 mm? -86.33 -13.71 45.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.107 0.479 . . . . 1.22 110.082 177.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . 0.44 ' CZ ' ' HG2' ' A' ' 722' ' ' GLN . 38.3 t80 -75.98 -59.09 2.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.829 -0.623 . . . . 0.99 111.474 -176.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 13.2 p -113.94 8.66 17.27 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.22 0.452 . . . . 1.94 112.22 -176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 80.95 87.16 0.62 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.201 -1.0 . . . . 1.4 111.482 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -81.87 51.05 4.38 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.277 -0.487 . . . . 2.46 113.061 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 53.66 68.16 0.89 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.03 0.443 . . . . 5.25 111.469 176.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 138.7 -24.57 2.88 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.784 -0.722 . . . . 1.47 112.246 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -104.47 131.21 52.11 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.089 -0.337 . . . . 1.85 110.089 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.29 114.68 5.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.958 -0.565 . . . . 2.83 110.401 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -57.99 121.63 11.04 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.221 0.534 . . . . 2.24 110.311 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -153.72 97.27 2.71 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 115.392 -0.822 . . . . 1.68 109.649 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.71 -28.81 31.19 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.138 2.559 . . . . 0.48 113.325 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -67.51 -51.26 53.14 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 110.092 -0.336 . . . . 2.21 110.092 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -69.43 -32.61 71.68 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.728 -0.471 . . . . 3.76 109.728 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 17.3 t -54.69 -49.97 69.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.001 -0.545 . . . . 1.54 110.133 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -71.45 -29.48 68.03 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.359 -0.924 . . . . 0.2 111.713 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.99 -39.29 93.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.288 0.566 . . . . 1.54 109.805 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . 0.433 ' HB3' ' HB1' ' A' ' 672' ' ' ALA . 3.8 mm? -76.61 -35.59 58.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.005 -0.543 . . . . 1.91 111.065 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -66.32 -36.32 82.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.714 0.292 . . . . 1.56 111.072 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 17.4 p -71.99 -37.23 69.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.844 0.354 . . . . 1.1 110.241 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.51 -42.89 86.64 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.179 -0.464 . . . . 2.83 110.023 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.56 87.32 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.829 -0.623 . . . . 1.05 110.727 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.63 -36.38 82.45 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 120.776 0.322 . . . . 1.05 110.826 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.7 -40.84 98.39 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.258 -0.428 . . . . 1.84 110.129 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -71.78 -28.71 63.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.925 -0.58 . . . . 1.06 110.559 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -71.65 -48.39 48.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.757 -0.656 . . . . 1.03 110.418 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -66.86 -27.6 67.66 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.027 -0.269 . . . . 1.32 110.576 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.85 -40.22 94.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.289 0.566 . . . . 2.58 109.754 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -91.45 23.73 3.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.426 -0.806 . . . . 1.11 111.576 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 83.5 mtp 58.41 39.72 24.95 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.254 0.55 . . . . 3.04 111.478 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -112.51 65.14 0.63 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.988 -0.551 . . . . 2.07 109.642 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -54.0 -58.27 13.33 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 115.685 -0.689 . . . . 0.61 114.512 -173.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.46 -35.83 72.77 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 117.202 0.501 . . . . 4.54 110.997 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.23 -46.55 76.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 1.6 109.958 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.23 -48.06 79.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.557 -0.747 . . . . 1.05 110.494 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.98 -46.17 88.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 1.99 110.805 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -57.52 -50.69 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.337 . . . . 1.83 110.952 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -62.97 -32.06 73.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.434 -0.348 . . . . 0.98 111.787 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . 0.405 ' CE2' HD22 ' A' ' 638' ' ' LEU . 19.3 m-85 -69.45 -40.96 76.86 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.093 0.473 . . . . 3.39 109.971 171.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.31 -33.19 72.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.442 -0.799 . . . . 2.55 110.36 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -85.28 -27.73 25.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.519 -0.764 . . . . 2.17 109.123 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.08 87.65 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.967 -0.56 . . . . 1.05 110.099 172.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -58.26 -48.88 79.05 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.925 -0.579 . . . . 2.16 110.312 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -59.72 -44.15 93.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.701 -0.681 . . . . 2.2 110.365 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.72 -45.74 81.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.496 -0.32 . . . . 1.07 111.517 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -71.22 -22.68 61.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.855 0.36 . . . . 0.56 111.313 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -78.93 -29.63 44.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.437 0.636 . . . . 1.2 110.074 174.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . 0.44 ' HG2' ' CZ ' ' A' ' 676' ' ' PHE . 7.7 tp-100 -79.7 12.58 2.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.281 -0.872 . . . . 2.88 112.133 -176.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 70.2 mtm -60.76 -5.73 1.42 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.941 0.401 . . . . 2.6 111.751 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.75 -13.4 60.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.169 -0.468 . . . . 4.88 110.94 173.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.569 -0.729 . . . . 5.52 110.391 179.498 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.854 -0.498 . . . . 15.76 111.854 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 32.5 t -145.46 149.36 34.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.806 0.336 . . . . 14.46 110.253 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 653' ' ' GLY . 20.8 t-80 -144.39 -44.91 0.25 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.168 -0.679 . . . . 13.82 109.168 177.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.525 ' O ' ' HA ' ' A' ' 655' ' ' GLU . 46.2 tpp -111.75 144.48 40.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.407 -0.815 . . . . 13.5 108.946 171.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 21.3 m -153.48 147.43 18.67 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.945 -0.391 . . . . 9.33 109.945 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . 0.507 ' HB2' ' SG ' ' A' ' 631' ' ' CYS . 56.9 Cg_endo -72.63 71.18 3.28 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.473 2.115 . . . . 7.72 110.915 171.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -67.05 -23.03 65.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.314 -0.857 . . . . 7.07 111.352 -175.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -144.28 87.13 1.86 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.214 0.53 . . . . 9.7 110.996 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 628' ' ' PRO . 98.2 m -80.78 81.37 7.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.935 -0.575 . . . . 4.9 110.658 176.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -135.04 -77.34 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.515 . . . . 5.04 110.97 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.11 -32.17 73.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.994 -0.548 . . . . 5.22 111.82 -173.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . 0.557 ' CH2' ' HA2' ' A' ' 706' ' ' GLY . 30.3 p-90 -70.77 -20.26 62.63 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.5 -0.48 . . . . 3.8 111.116 -173.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.04 -44.38 69.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.351 0.596 . . . . 3.53 109.517 175.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.24 -41.85 80.58 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.26 -0.882 . . . . 5.37 109.846 176.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -61.7 -34.91 76.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.307 -0.86 . . . . 3.28 110.883 177.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.453 ' HA ' ' HB2' ' A' ' 641' ' ' TYR . 28.2 tp -62.84 -28.74 70.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 2.49 110.964 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -73.8 -27.24 61.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.218 0.532 . . . . 6.23 109.929 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 49.6 t-105 -96.28 2.14 52.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.788 0.804 . . . . 7.88 109.591 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . 0.453 ' HB2' ' HA ' ' A' ' 638' ' ' LEU . 22.2 t80 -80.17 60.1 3.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.374 -0.83 . . . . 5.75 110.162 -174.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . 0.403 ' HA ' ' OE1' ' A' ' 717' ' ' GLU . 19.6 m120 -80.32 49.04 1.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.232 -0.894 . . . . 5.55 110.48 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 30.0 p -88.21 100.98 13.39 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.366 -0.833 . . . . 4.74 110.157 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -90.6 -60.4 1.93 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.414 -0.357 . . . . 5.98 110.904 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 92.4 mt -119.9 38.76 3.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.271 0.558 . . . . 8.22 110.611 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -86.59 140.01 30.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.738 -0.664 . . . . 8.8 110.327 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 32.8 tpp -66.46 113.47 4.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.925 -0.579 . . . . 12.33 110.442 178.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 6.4 m -66.75 95.88 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.892 -0.595 . . . . 10.68 110.58 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -108.64 54.64 0.65 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.689 0.757 . . . . 13.39 110.006 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 5.1 p -134.36 81.6 1.92 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.465 -0.788 . . . . 12.44 109.21 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.46 132.56 44.77 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.308 -0.86 . . . . 13.19 111.301 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.61 70.52 6.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.717 -0.674 . . . . 15.45 110.43 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 625' ' ' HIS . . . -78.8 59.92 4.16 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.143 -0.551 . . . . 13.75 112.532 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 65.74 71.58 0.87 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 121.524 -0.37 . . . . 12.43 113.221 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.525 ' HA ' ' O ' ' A' ' 626' ' ' MET . 32.3 tt0 -89.81 92.27 8.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.226 0.536 . . . . 10.98 109.835 176.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -102.63 120.82 41.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.775 -0.648 . . . . 11.86 110.541 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -99.58 -46.8 5.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.803 -0.635 . . . . 7.62 111.21 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 142.83 -33.95 1.82 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.013 -0.613 . . . . 6.25 112.505 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 10.7 tpt -63.58 107.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.993 0.425 . . . . 4.16 111.332 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 660' ' ' GLN . 7.9 tt0 -123.65 19.9 9.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.584 0.707 . . . . 6.77 109.797 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -89.07 -174.31 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.302 -0.629 . . . . 3.86 109.302 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -58.35 107.89 1.11 Allowed Pre-proline 0 N--CA 1.465 0.299 0 N-CA-C 111.803 0.298 . . . . 3.19 111.803 -176.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.74 120.86 3.97 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.227 1.951 . . . . 1.1 112.62 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -80.1 -39.2 30.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.318 0.58 . . . . 3.66 110.334 174.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . 0.611 ' OH ' ' HE3' ' A' ' 705' ' ' LYS . 28.7 p90 -59.29 -27.39 65.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.02 -0.991 . . . . 1.2 112.198 -171.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 67.9 mtt -72.25 -42.84 65.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.77 0.319 . . . . 1.59 110.414 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 667' ' ' MET . . . . . 0.44 ' HE2' HD11 ' A' ' 668' ' ' LEU . 11.9 tmm? -70.23 -43.6 70.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.857 -0.794 . . . . 1.59 108.857 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.44 HD11 ' HE2' ' A' ' 667' ' ' MET . 10.9 mp -60.23 -41.73 93.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.529 -0.76 . . . . 1.45 110.895 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.77 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.747 0.308 . . . . 1.05 110.525 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -65.42 -41.98 92.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.26 -0.427 . . . . 3.87 109.929 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.24 -41.59 76.79 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.553 -0.536 . . . . 1.89 109.553 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.46 70.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.931 0.396 . . . . 1.05 110.92 174.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -68.53 -37.14 79.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 1.76 110.149 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.7 mtm -73.09 -17.03 61.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 1.39 110.405 176.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.601 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.1 mm? -86.73 -29.57 22.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.16 -0.473 . . . . 1.22 110.107 174.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . 0.409 ' O ' ' HE3' ' A' ' 684' ' ' LYS . 16.1 t80 -87.45 -54.73 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.5 -0.318 . . . . 0.99 111.422 -177.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 59.9 p -96.68 5.05 51.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.91 0.386 . . . . 1.94 111.584 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 88.04 162.46 38.1 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.361 -0.923 . . . . 1.4 111.067 -176.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -163.74 -175.48 34.7 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.131 -1.033 . . . . 2.46 112.578 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -72.25 84.0 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 5.25 110.665 -177.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 96.98 6.8 57.81 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.946 -0.645 . . . . 1.47 112.052 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.1 122.44 47.75 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.373 -0.232 . . . . 1.85 110.373 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.51 138.09 33.58 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.613 -0.514 . . . . 2.83 109.613 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 19.9 ptmt -72.64 127.55 32.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.484 0.659 . . . . 2.24 111.21 -176.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -144.59 98.48 4.92 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.023 -0.99 . . . . 1.68 109.259 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -52.16 -31.18 44.36 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.145 2.563 . . . . 0.48 113.435 -175.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -67.12 -55.18 15.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.705 0.288 . . . . 2.21 110.593 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . 0.475 ' O ' ' HD3' ' A' ' 688' ' ' ARG . 0.9 OUTLIER -68.55 -30.4 69.18 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.264 -0.643 . . . . 3.76 109.264 -178.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 29.0 m -54.79 -51.5 65.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.841 -0.618 . . . . 1.54 110.405 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.24 -35.45 82.89 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.352 -0.928 . . . . 0.2 112.023 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . 0.584 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 2.0 m-20 -61.86 -47.93 82.78 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.946 -0.302 . . . . 1.54 110.322 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . 0.423 HD21 ' CZ ' ' A' ' 688' ' ' ARG . 23.7 tp -74.52 -32.0 62.34 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.633 -0.427 . . . . 1.91 110.861 -178.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -66.37 -35.84 81.35 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 120.888 -0.325 . . . . 1.56 110.8 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 9.8 p -75.53 -33.21 60.69 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.648 -0.421 . . . . 1.1 110.418 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 55.2 mt-30 -65.43 -41.02 93.98 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.126 -0.694 . . . . 2.83 109.126 172.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.75 94.0 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.573 -0.739 . . . . 1.05 110.807 175.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.22 85.77 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.623 0.249 . . . . 1.05 110.466 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . 0.402 ' HA ' ' HE1' ' A' ' 701' ' ' MET . 34.6 mt-10 -60.21 -49.99 75.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 1.84 109.837 175.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -64.92 -30.27 71.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 1.06 110.838 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.15 -53.16 18.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.54 . . . . 1.03 110.761 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 701' ' ' MET . . . . . 0.402 ' HE1' ' HA ' ' A' ' 698' ' ' GLU . 27.2 ptt? -69.08 -25.59 64.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.848 0.356 . . . . 1.32 110.349 -178.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.15 -32.91 69.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.394 0.616 . . . . 2.58 109.844 174.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.91 18.21 5.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.508 -0.769 . . . . 1.11 111.086 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 7.1 tpt 67.11 23.32 9.65 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.894 -0.594 . . . . 3.04 111.018 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . 0.611 ' HE3' ' OH ' ' A' ' 665' ' ' TYR . 75.0 mmtt -102.07 76.25 1.58 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.05 -0.523 . . . . 2.07 110.474 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . 0.557 ' HA2' ' CH2' ' A' ' 634' ' ' TRP . . . -57.42 -50.42 65.02 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.256 -0.497 . . . . 0.61 113.353 -178.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . 0.43 ' NH2' ' HG2' ' A' ' 626' ' ' MET . 2.7 tpp180 -53.29 -50.25 65.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.086 0.47 . . . . 4.54 110.968 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.32 -45.93 91.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.508 -0.769 . . . . 1.6 110.579 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.56 89.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 1.05 110.986 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -61.49 -50.25 73.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 1.99 110.572 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . 0.414 ' OE1' ' HG3' ' A' ' 707' ' ' ARG . 25.5 mt-30 -56.7 -56.19 24.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 1.83 111.504 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -61.38 -33.08 73.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.289 -0.414 . . . . 0.98 111.851 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -71.4 -41.03 70.12 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.395 -0.522 . . . . 3.39 109.627 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.57 -25.41 67.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.631 0.729 . . . . 2.55 109.97 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -86.02 -32.05 21.67 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.423 -0.808 . . . . 2.17 108.983 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.23 -46.18 84.96 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.844 -0.616 . . . . 1.05 110.051 173.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 642' ' ' ASN . 7.0 mm-40 -62.44 -43.17 99.47 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.668 -0.697 . . . . 2.16 110.259 177.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.95 -44.86 87.23 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.085 -0.507 . . . . 2.2 110.683 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.31 -52.32 63.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 1.07 111.33 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -73.27 -32.63 64.78 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.996 0.369 . . . . 0.56 111.996 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -75.29 -37.92 60.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.364 0.505 . . . . 1.2 112.364 -177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -69.08 -61.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.674 0.249 . . . . 2.88 111.674 -173.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 62.2 mtm 30.54 55.38 0.19 Allowed 'General case' 0 N--CA 1.477 0.883 0 O-C-N 124.156 0.91 . . . . 2.6 113.03 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -144.13 -1.23 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.979 0.419 . . . . 4.88 111.101 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 C--N 1.319 -0.75 0 CA-C-O 118.628 -0.701 . . . . 5.52 109.947 -176.794 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 112.261 -0.336 . . . . 15.76 112.261 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 39.9 m -92.32 50.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.894 -0.18 . . . . 14.46 111.093 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 72.52 -52.17 0.7 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.318 0.647 . . . . 13.82 111.277 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 16.3 tpt -165.31 125.98 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.706 -0.479 . . . . 13.5 109.706 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 13.1 m -77.99 147.69 74.0 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.226 -0.443 . . . . 9.33 109.851 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' A' ' 656' ' ' TYR . 73.8 Cg_endo -74.74 56.32 4.06 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.144 2.562 . . . . 7.72 112.64 -175.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -83.61 -24.58 31.41 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.735 -0.666 . . . . 7.07 110.648 -177.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -119.87 20.39 12.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.418 -0.355 . . . . 9.7 111.743 -175.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 88.7 m -76.58 69.69 3.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.106 0.479 . . . . 4.9 110.235 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -121.02 1.36 10.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.97 -0.559 . . . . 5.04 110.811 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.01 -31.74 64.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 5.22 111.395 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . 0.522 ' HA ' ' SG ' ' A' ' 650' ' ' CYS . 67.3 p-90 -65.04 -25.08 67.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.104 0.478 . . . . 3.8 110.541 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 34.2 mt -62.48 -41.0 98.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.731 -0.668 . . . . 3.53 110.218 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -63.74 -43.03 97.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 5.37 110.08 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.78 -47.74 81.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.654 -0.703 . . . . 3.28 110.586 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.66 -32.5 74.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.386 -0.825 . . . . 2.49 111.576 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -81.05 -20.42 41.66 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.106 0.41 . . . . 6.23 112.106 -175.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -82.04 -38.66 24.64 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.775 -0.37 . . . . 7.88 111.693 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 54.4 t80 71.18 159.83 0.21 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 123.588 0.555 . . . . 5.75 110.452 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 6.5 m120 58.9 43.75 17.61 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.128 0.571 . . . . 5.55 112.026 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 42.4 p -90.59 59.82 4.37 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.141 -0.481 . . . . 4.74 109.986 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -81.16 -72.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 5.98 111.514 -175.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 94.2 mt -93.49 -7.1 45.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.4 0.619 . . . . 8.22 110.007 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -78.42 111.38 14.38 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.228 -0.896 . . . . 8.8 109.734 175.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 647' ' ' MET . . . . . 0.429 ' HA ' ' NE2' ' A' ' 714' ' ' GLN . 15.7 tpt -82.41 94.84 7.49 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.151 0.501 . . . . 12.33 109.895 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.7 p -68.01 130.34 42.65 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.387 -0.824 . . . . 10.68 111.476 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.47 89.45 4.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.959 -0.564 . . . . 13.39 110.098 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 634' ' ' TRP . 61.2 m -124.22 44.81 2.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.167 0.508 . . . . 12.44 110.945 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -155.82 121.57 4.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.566 -0.743 . . . . 13.19 110.061 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -92.34 64.01 4.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.079 0.466 . . . . 15.45 111.328 -177.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 70.98 48.9 30.54 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.863 -0.608 . . . . 13.75 112.982 175.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 72.39 70.44 1.22 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.963 -0.636 . . . . 12.43 112.623 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -96.76 128.5 43.77 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.338 -0.616 . . . . 10.98 109.338 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . 0.523 ' O ' ' HD3' ' A' ' 628' ' ' PRO . 14.1 m-85 -84.0 108.67 17.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.16 -0.473 . . . . 11.86 111.028 -174.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . 0.431 ' HA ' ' HB3' ' A' ' 628' ' ' PRO . 12.6 p30 -79.62 40.46 0.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.442 -0.799 . . . . 7.62 112.667 -174.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 75.46 -72.21 1.73 Allowed Glycine 0 C--O 1.235 0.202 0 C-N-CA 121.27 -0.491 . . . . 6.25 112.97 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 16.5 tpt 67.32 102.14 0.05 OUTLIER 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.448 0.699 . . . . 4.16 112.339 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -82.89 155.69 23.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.626 -0.715 . . . . 6.77 109.951 173.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -76.08 -6.91 53.31 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.442 0.534 . . . . 3.86 112.442 -170.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -117.15 88.46 27.24 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 109.897 -0.408 . . . . 3.19 109.897 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.37 118.01 3.53 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.703 1.602 . . . . 1.1 112.648 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -82.33 -44.77 15.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.674 0.75 . . . . 3.66 110.966 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . 0.737 ' HH ' ' HE2' ' A' ' 705' ' ' LYS . 44.7 p90 -59.78 -28.98 67.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.01 -0.995 . . . . 1.2 111.795 -175.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.476 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 63.8 mtt -69.74 -32.92 71.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.62 0.247 . . . . 1.59 110.606 -177.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 58.9 ttp -70.8 -44.47 66.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.401 -0.592 . . . . 1.59 109.401 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.54 -36.3 83.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.474 -0.784 . . . . 1.45 110.733 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.59 -32.93 53.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.403 -0.362 . . . . 1.05 110.333 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . 0.531 ' O ' ' HG3' ' A' ' 674' ' ' MET . 34.4 ttm180 -65.2 -40.47 94.22 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.55 -0.537 . . . . 3.87 109.55 176.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -63.51 -48.2 78.56 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.979 -0.748 . . . . 1.89 108.979 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.9 -40.73 76.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.245 -0.888 . . . . 1.05 111.674 177.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -69.32 -33.49 73.23 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.266 -0.272 . . . . 1.76 110.266 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 674' ' ' MET . . . . . 0.531 ' HG3' ' O ' ' A' ' 670' ' ' ARG . 84.4 mtp -68.73 -30.76 69.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.431 -0.35 . . . . 1.39 110.257 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.584 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.9 mm? -77.58 -35.63 52.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 1.22 110.993 175.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -73.99 -48.81 27.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.128 -0.487 . . . . 0.99 111.258 -175.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 64.0 p -85.31 -20.76 29.51 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.801 0.297 . . . . 1.94 111.801 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 75.04 -166.27 54.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.797 -0.716 . . . . 1.4 111.527 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 157.88 -164.1 33.04 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.508 -0.853 . . . . 2.46 112.245 177.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -75.7 85.12 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.875 0.369 . . . . 5.25 110.332 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 125.12 -23.49 6.13 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.575 -0.822 . . . . 1.47 112.179 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.3 120.7 43.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.775 0.322 . . . . 1.85 110.162 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -86.12 120.67 27.74 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.077 -0.712 . . . . 2.83 109.077 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 14.9 ptmm? -59.85 124.58 20.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.228 0.537 . . . . 2.24 111.036 -177.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -141.76 102.29 5.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.698 -0.683 . . . . 1.68 110.174 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.82 -30.07 66.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.954 2.436 . . . . 0.48 113.13 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -67.57 -54.32 20.87 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.917 -0.401 . . . . 2.21 109.917 -176.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -70.13 -31.47 69.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.991 -0.374 . . . . 3.76 109.991 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 45.2 m -55.98 -47.32 77.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.54 110.234 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.1 -32.47 72.9 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.252 -0.975 . . . . 0.2 111.852 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 33.1 t70 -63.38 -44.79 93.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.238 0.542 . . . . 1.54 110.2 178.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 50.2 mt -72.03 -35.8 69.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.988 -0.551 . . . . 1.91 110.986 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -70.14 -33.68 72.1 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.023 -0.271 . . . . 1.56 111.298 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 5.3 p -70.89 -37.15 73.0 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.572 -0.451 . . . . 1.1 110.115 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 23.4 mt-30 -66.17 -41.31 90.49 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.217 -0.447 . . . . 2.83 109.816 174.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.3 97.29 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.083 -0.508 . . . . 1.05 111.138 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.85 -35.9 81.1 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.872 0.368 . . . . 1.05 110.222 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.52 -48.81 80.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.812 -0.631 . . . . 1.84 109.957 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -66.62 -28.32 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 1.06 110.913 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -74.3 -51.2 15.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 1.03 110.678 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 701' ' ' MET . . . . . 0.4 ' HB2' ' CH2' ' A' ' 634' ' ' TRP . 25.3 ptt? -63.62 -35.02 79.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 1.32 110.199 -178.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -70.72 -28.75 64.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.906 -0.588 . . . . 2.58 109.947 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -92.06 21.04 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.799 -0.637 . . . . 1.11 111.407 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 44.8 ttm 71.59 4.45 5.05 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.191 0.519 . . . . 3.04 111.622 174.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . 0.737 ' HE2' ' HH ' ' A' ' 665' ' ' TYR . 30.5 mmmt -88.14 62.39 6.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.172 -0.467 . . . . 2.07 110.323 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -53.51 -47.54 62.96 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-N 115.942 -0.572 . . . . 0.61 114.216 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -64.29 -42.54 96.36 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 117.339 0.569 . . . . 4.54 110.826 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.48 -41.49 96.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.358 -0.383 . . . . 1.6 110.137 177.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.09 -47.1 81.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.794 -0.639 . . . . 1.05 110.612 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -58.64 -48.77 79.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.847 -0.615 . . . . 1.99 110.626 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -58.38 -54.31 48.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.437 -0.347 . . . . 1.83 111.508 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -59.96 -33.12 71.5 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.099 -0.241 . . . . 0.98 111.129 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -71.03 -39.38 72.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.808 -0.441 . . . . 3.39 109.808 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . 0.429 ' NE2' ' HA ' ' A' ' 647' ' ' MET . 34.5 tt0 -64.35 -26.25 68.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.855 -0.611 . . . . 2.55 110.116 176.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -85.43 -32.33 22.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.532 -0.758 . . . . 2.17 108.986 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.37 -49.3 69.85 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.789 -0.641 . . . . 1.05 109.999 174.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -60.87 -43.45 98.38 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.539 -0.755 . . . . 2.16 110.328 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.83 -42.71 89.87 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.404 -0.362 . . . . 2.2 110.63 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -58.65 -52.18 66.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 1.07 111.23 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 33.9 m0 -72.76 -39.91 66.42 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.722 0.267 . . . . 0.56 111.722 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -69.17 -32.56 71.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.768 0.285 . . . . 1.2 111.768 -176.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -87.88 -60.3 2.01 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.932 -0.707 . . . . 2.88 111.153 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 75.4 mtm 42.37 42.19 2.53 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.29 0.567 . . . . 2.6 111.08 -173.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -152.81 62.43 0.79 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.321 -0.854 . . . . 4.88 109.64 -174.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.568 -0.729 . . . . 5.52 109.95 -177.938 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 N-CA-C 111.652 -0.579 . . . . 15.76 111.652 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 69.3 m -80.12 64.97 5.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.36 0.6 . . . . 14.46 110.708 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -135.14 148.11 49.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.614 -0.721 . . . . 13.82 110.4 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -95.74 73.57 3.13 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.072 -0.714 . . . . 13.5 109.072 173.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 13.0 p -82.01 141.13 46.76 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.812 -0.631 . . . . 9.33 110.769 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -68.16 69.29 0.94 Allowed 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.033 2.489 . . . . 7.72 111.51 173.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -92.31 -31.23 15.46 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.66 -0.7 . . . . 7.07 111.0 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -120.08 56.78 0.95 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.14 0.495 . . . . 9.7 110.152 -176.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . 0.499 ' HB3' ' CZ2' ' A' ' 634' ' ' TRP . 76.4 m -71.63 -6.82 43.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 4.9 112.127 -177.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -58.65 -27.22 64.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.567 0.222 . . . . 5.04 110.851 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.31 -52.65 43.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.036 -0.529 . . . . 5.22 111.552 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . 0.614 ' CZ3' ' HB2' ' A' ' 701' ' ' MET . 51.3 p-90 -88.92 -34.39 16.94 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.923 -0.311 . . . . 3.8 111.438 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.33 -47.62 85.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 3.53 110.206 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -72.22 -39.25 68.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.036 -0.529 . . . . 5.37 110.048 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . 0.508 ' O ' ' HB2' ' A' ' 641' ' ' TYR . . . -54.34 -52.8 60.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.865 -0.607 . . . . 3.28 111.361 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.36 -12.01 54.43 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.318 0.488 . . . . 2.49 112.318 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -75.8 -43.52 45.83 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.12 -0.326 . . . . 6.23 110.12 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -104.66 -3.96 23.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.753 0.279 . . . . 7.88 111.753 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . 0.508 ' HB2' ' O ' ' A' ' 637' ' ' ALA . 12.3 t80 -63.44 118.54 8.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.059 0.457 . . . . 5.75 110.813 -174.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . 0.427 ' HA ' ' OE1' ' A' ' 717' ' ' GLU . 2.9 t-20 -154.12 80.56 1.13 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.427 -0.806 . . . . 5.55 108.926 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 3.3 t -175.75 111.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.712 -0.676 . . . . 4.74 110.516 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -73.89 -19.57 60.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.748 -0.66 . . . . 5.98 111.981 -177.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 96.4 mt -125.08 84.67 2.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.812 0.339 . . . . 8.22 110.212 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -130.03 154.82 47.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.013 0.435 . . . . 8.8 111.225 -176.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 13.8 tpt -133.87 75.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.38 0.609 . . . . 12.33 110.14 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 1.9 m -80.05 168.77 18.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.618 -0.719 . . . . 10.68 109.482 176.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -55.48 -68.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.937 -0.394 . . . . 13.39 109.937 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 43.5 t 65.73 125.57 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.939 0.774 . . . . 12.44 112.769 172.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -50.77 145.76 6.61 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.564 -0.744 . . . . 13.19 110.574 173.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -125.33 43.98 2.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.089 0.471 . . . . 15.45 110.991 -175.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 118.62 41.43 0.62 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 119.952 -1.118 . . . . 13.75 113.363 173.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -118.25 -156.66 10.31 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.672 -0.971 . . . . 12.43 110.672 173.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 54.15 70.27 0.63 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.753 0.787 . . . . 10.98 110.558 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -90.9 69.89 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.606 -0.724 . . . . 11.86 111.816 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . 0.499 ' O ' ' HB2' ' A' ' 704' ' ' MET . 26.4 t70 -147.44 170.95 16.29 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.581 -0.896 . . . . 7.62 108.581 175.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 81.26 -45.32 3.2 Favored Glycine 0 C--O 1.229 -0.172 0 C-N-CA 121.21 -0.519 . . . . 6.25 112.586 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 15.6 tpt -68.8 106.9 2.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.862 0.363 . . . . 4.16 110.405 178.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -126.2 78.99 1.81 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.304 -0.407 . . . . 6.77 111.268 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 26.7 t70 72.69 -59.77 0.55 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.273 -0.876 . . . . 3.86 112.92 173.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -113.43 98.23 45.95 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.413 0.149 . . . . 3.19 110.903 -173.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -79.45 119.84 4.26 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.897 1.731 . . . . 1.1 111.867 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . 0.415 ' O ' HD12 ' A' ' 668' ' ' LEU . 28.2 ptt-85 -80.57 -25.03 38.81 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.339 -0.544 . . . . 3.66 111.218 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . 0.408 ' CZ ' ' HG3' ' A' ' 705' ' ' LYS . 8.5 p90 -67.26 -32.26 73.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.642 0.258 . . . . 1.2 111.268 -176.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 60.5 mtt -73.58 -33.54 64.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.88 0.371 . . . . 1.59 110.17 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 667' ' ' MET . . . . . 0.412 ' HE2' HD13 ' A' ' 668' ' ' LEU . 6.3 tmm? -72.16 -44.48 63.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.927 -0.768 . . . . 1.59 108.927 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.415 HD12 ' O ' ' A' ' 664' ' ' ARG . 9.2 mp -62.27 -35.58 79.41 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.715 -0.675 . . . . 1.45 110.619 176.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.69 -32.3 57.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.359 . . . . 1.05 110.401 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -63.9 -43.69 95.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.927 -0.579 . . . . 3.87 109.467 174.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -63.03 -48.03 80.5 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.889 -0.782 . . . . 1.89 108.889 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -57.03 -42.62 80.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.363 -0.835 . . . . 1.05 111.465 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -68.36 -35.25 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.635 0.255 . . . . 1.76 110.37 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 674' ' ' MET . . . . . 0.451 ' O ' ' HA3' ' A' ' 678' ' ' GLY . 64.8 mtm -72.57 -27.0 61.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.663 0.268 . . . . 1.39 110.647 177.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.519 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.2 mm? -82.21 -28.72 31.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.415 -0.357 . . . . 1.22 111.208 177.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . 0.614 ' CZ ' ' HA ' ' A' ' 719' ' ' ALA . 11.9 t80 -89.06 -61.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.874 -0.331 . . . . 0.99 111.8 -176.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 25.8 p -101.13 18.59 19.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.0 0.429 . . . . 1.94 111.056 -176.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . 0.451 ' HA3' ' O ' ' A' ' 674' ' ' MET . . . -82.92 -122.34 0.76 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.851 -0.69 . . . . 1.4 113.014 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 97.16 2.82 59.08 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.871 -0.681 . . . . 2.46 111.905 -177.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -125.73 61.47 1.24 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.374 0.607 . . . . 5.25 109.668 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 130.48 -43.49 1.3 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.547 -1.021 . . . . 1.47 110.547 -176.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -112.02 120.77 43.0 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.946 -0.761 . . . . 1.85 108.946 173.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.11 118.2 10.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.35 -0.611 . . . . 2.83 109.35 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 21.6 ptmt -63.52 142.94 58.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.137 0.494 . . . . 2.24 111.449 -173.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -155.89 97.93 2.26 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.583 -0.735 . . . . 1.68 109.512 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.83 -31.64 34.14 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.297 2.665 . . . . 0.48 113.74 -176.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -68.02 -52.63 33.4 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 120.966 0.412 . . . . 2.21 110.024 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -66.27 -36.64 83.5 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.162 -0.681 . . . . 3.76 109.162 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 689' ' ' SER . . . . . 0.406 ' HB3' ' HB2' ' A' ' 676' ' ' PHE . 20.0 m -54.41 -54.56 39.07 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.261 -0.881 . . . . 1.54 110.582 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.43 -31.14 76.09 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.288 -0.958 . . . . 0.2 111.881 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.18 -44.0 96.65 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.601 -0.518 . . . . 1.54 109.601 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.55 -36.32 73.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.037 -0.529 . . . . 1.91 110.82 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . 0.465 ' HH ' ' HZ3' ' A' ' 715' ' ' LYS . 24.6 m-85 -63.41 -42.63 98.76 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.802 0.334 . . . . 1.56 110.7 176.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 15.7 p -71.18 -37.33 72.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.468 -0.333 . . . . 1.1 110.44 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . 0.623 HE21 ' HA ' ' A' ' 695' ' ' GLN . 0.0 OUTLIER -65.89 -40.6 91.7 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.56 -0.533 . . . . 2.83 109.56 175.064 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.19 94.21 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.963 -0.562 . . . . 1.05 110.922 175.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.83 -37.23 85.67 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.801 0.334 . . . . 1.05 110.34 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.66 -46.69 88.67 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.103 -0.499 . . . . 1.84 110.092 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -68.12 -28.9 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.968 0.413 . . . . 1.06 110.738 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.24 -51.7 28.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.824 -0.626 . . . . 1.03 110.241 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 701' ' ' MET . . . . . 0.614 ' HB2' ' CZ3' ' A' ' 634' ' ' TRP . 24.3 ptt? -69.24 -25.65 64.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.951 0.405 . . . . 1.32 110.197 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -71.11 -33.81 70.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.129 0.49 . . . . 2.58 109.843 175.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -94.4 26.18 3.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.929 -0.578 . . . . 1.11 110.958 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 704' ' ' MET . . . . . 0.499 ' HB2' ' O ' ' A' ' 657' ' ' ASP . 24.5 mmt 54.12 47.9 22.19 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.699 -0.682 . . . . 3.04 110.821 177.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . 0.408 ' HG3' ' CZ ' ' A' ' 665' ' ' TYR . 25.8 mmtm -127.18 64.03 1.32 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.345 -0.843 . . . . 2.07 109.877 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . 0.497 ' HA3' ' CD1' ' A' ' 634' ' ' TRP . . . -56.42 -39.8 84.49 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.565 -0.743 . . . . 0.61 113.513 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -55.25 -50.23 70.0 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.297 0.57 . . . . 4.54 110.201 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.61 -45.33 94.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.388 -0.824 . . . . 1.6 110.266 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.84 83.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.781 -0.645 . . . . 1.05 111.126 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -62.81 -49.79 73.55 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.854 -0.425 . . . . 1.99 109.854 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -58.23 -55.45 34.77 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.021 -0.536 . . . . 1.83 111.532 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -60.2 -33.73 72.65 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.664 0.246 . . . . 0.98 111.664 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -70.25 -40.07 74.65 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.512 -0.475 . . . . 3.39 109.807 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -67.9 -25.92 65.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.453 0.644 . . . . 2.55 109.952 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . 0.465 ' HZ3' ' HH ' ' A' ' 693' ' ' TYR . 25.9 tptp -83.19 -29.01 28.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.059 -1.089 . . . . 2.17 108.059 -179.385 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.88 -47.43 80.7 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.384 -0.825 . . . . 1.05 110.103 170.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . 0.427 ' OE1' ' HA ' ' A' ' 642' ' ' ASN . 24.1 mt-10 -64.61 -38.98 92.88 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.767 -0.651 . . . . 2.16 110.298 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -59.13 -44.34 92.04 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 110.088 -0.338 . . . . 2.2 110.088 172.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . 0.614 ' HA ' ' CZ ' ' A' ' 676' ' ' PHE . . . -57.02 -47.97 79.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.355 -0.384 . . . . 1.07 111.511 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -76.24 -29.78 57.66 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.769 -0.372 . . . . 0.56 111.914 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -71.41 -31.1 66.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.254 0.55 . . . . 1.2 110.391 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -82.17 11.34 5.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.322 -0.854 . . . . 2.88 111.427 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 52.5 mtm -74.01 54.16 0.51 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.447 0.641 . . . . 2.6 110.18 174.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -126.22 22.55 7.18 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.382 -0.826 . . . . 4.88 109.527 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--O 1.245 0.849 0 CA-C-N 115.114 -0.948 . . . . 5.52 109.675 179.483 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 111.685 -0.566 . . . . 15.76 111.685 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 21.0 m -82.81 51.2 1.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.105 0.479 . . . . 14.46 111.277 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . 0.444 ' C ' ' H ' ' A' ' 627' ' ' SER . 51.1 t60 -88.15 -68.45 0.76 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.764 -0.828 . . . . 13.82 108.764 176.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 83.6 mtp 69.17 -34.09 0.27 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.475 0.917 . . . . 13.5 113.475 169.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 625' ' ' HIS . 20.5 p -63.98 121.91 74.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 120.893 0.378 . . . . 9.33 111.745 -176.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . 0.453 ' HA ' ' SG ' ' A' ' 631' ' ' CYS . 93.2 Cg_endo -82.21 -5.58 11.98 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.701 2.267 . . . . 7.72 111.445 175.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -76.58 -21.42 55.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.446 -0.797 . . . . 7.07 110.575 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . 0.438 HH21 ' CG ' ' A' ' 651' ' ' ASP . 60.6 mtm180 -122.3 78.4 1.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.175 0.512 . . . . 9.7 110.531 176.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . 0.453 ' SG ' ' HA ' ' A' ' 628' ' ' PRO . 57.6 m -116.16 52.36 0.92 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.483 -0.781 . . . . 4.9 109.541 175.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -119.78 -49.05 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.837 -0.619 . . . . 5.04 111.644 -175.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -57.35 -34.25 68.6 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.741 0.645 . . . . 5.22 112.741 -173.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . 0.565 ' CZ2' ' HA3' ' A' ' 706' ' ' GLY . 53.9 p-90 -64.4 -26.36 68.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.042 0.448 . . . . 3.8 110.406 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . 0.483 ' O ' ' HB2' ' A' ' 639' ' ' HIS . 43.1 mt -67.98 -34.05 75.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.917 -0.583 . . . . 3.53 110.716 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -66.06 -48.35 71.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.178 0.513 . . . . 5.37 110.206 175.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -63.34 -48.94 75.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.354 -0.839 . . . . 3.28 111.387 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 28.7 tp -68.46 -27.9 66.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.033 -0.531 . . . . 2.49 110.756 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 635' ' ' LEU . 28.4 t-80 -57.67 -44.63 85.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.095 -0.502 . . . . 6.23 111.051 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -97.3 7.61 46.22 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.15 0.5 . . . . 7.88 111.062 -177.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 32.3 t80 44.7 59.02 3.57 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 114.608 -1.178 . . . . 5.75 111.155 -176.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -153.09 84.55 1.21 Allowed 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.921 -0.77 . . . . 5.55 108.921 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 12.5 t -133.03 18.54 4.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.178 0.436 . . . . 4.74 112.178 -173.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -65.63 -33.64 76.36 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.134 0.493 . . . . 5.98 110.78 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 31.3 tp -116.62 46.99 1.52 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.078 -0.712 . . . . 8.22 109.078 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -56.71 142.3 40.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.947 -1.024 . . . . 8.8 111.122 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 68.9 mtm -73.34 81.46 1.38 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.55 -0.537 . . . . 12.33 109.55 173.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 6.2 p -69.14 97.47 0.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.734 -0.667 . . . . 10.68 111.881 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -93.48 97.17 10.36 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.398 -0.593 . . . . 13.39 109.398 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 78.5 m -80.95 156.59 25.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.841 -0.618 . . . . 12.44 110.777 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . 0.438 ' CG ' HH21 ' A' ' 630' ' ' ARG . 5.2 m-20 -105.91 136.01 46.32 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.072 -0.513 . . . . 13.19 110.067 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.89 66.02 2.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.444 0.64 . . . . 15.45 110.318 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 165.33 -86.23 0.1 Allowed Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 110.636 -0.986 . . . . 13.75 110.636 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 87.0 96.49 0.86 Allowed Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.833 -0.699 . . . . 12.43 113.23 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -86.13 73.15 10.3 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.351 -0.611 . . . . 10.98 109.351 174.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -62.25 127.46 31.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.887 -0.597 . . . . 11.86 111.031 -173.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . 0.46 ' HB3' ' NZ ' ' A' ' 705' ' ' LYS . 14.2 t70 -71.17 101.19 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.546 -0.752 . . . . 7.62 110.635 177.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -97.29 74.84 0.67 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.789 -0.641 . . . . 6.25 111.502 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -56.73 145.34 29.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.984 0.421 . . . . 4.16 111.228 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -81.63 63.14 5.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.307 0.575 . . . . 6.77 110.594 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -158.67 138.36 11.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.296 -0.865 . . . . 3.86 108.993 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.11 114.84 16.7 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 121.0 0.429 . . . . 3.19 110.807 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -77.33 121.57 5.73 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 121.652 1.568 . . . . 1.1 111.948 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -73.05 -32.79 65.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.776 -0.647 . . . . 3.66 110.225 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -64.16 -29.24 70.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.545 -0.752 . . . . 1.2 111.987 -175.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 10.5 mmt -71.83 -38.53 70.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.864 0.364 . . . . 1.59 110.725 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 51.1 ttp -70.52 -42.72 70.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.421 0.629 . . . . 1.59 109.693 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 9.1 mp -66.57 -33.56 75.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.523 -0.762 . . . . 1.45 110.563 177.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.04 -32.59 59.41 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.238 -0.282 . . . . 1.05 110.238 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -62.04 -46.51 88.84 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.659 -0.497 . . . . 3.87 109.659 174.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -63.78 -44.66 92.72 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.304 -0.628 . . . . 1.89 109.304 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 692' ' ' LEU . . . -53.73 -43.56 69.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.828 -0.623 . . . . 1.05 111.652 175.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.36 -38.06 77.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.85 0.357 . . . . 1.76 110.478 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.4 mtm -69.06 -27.07 65.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 1.39 110.35 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.85 -17.59 32.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.873 0.368 . . . . 1.22 110.346 175.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . 0.605 ' O ' ' HE3' ' A' ' 684' ' ' LYS . 47.3 t80 -83.53 -61.65 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.458 -0.337 . . . . 0.99 111.573 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 677' ' ' THR . . . . . 0.439 ' HA ' ' OE2' ' A' ' 725' ' ' GLU . 14.0 t -102.68 -0.85 31.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.011 0.434 . . . . 1.94 111.447 -173.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 97.32 128.32 5.91 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.372 -0.918 . . . . 1.4 111.784 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -126.42 168.54 18.54 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.874 -0.679 . . . . 2.46 111.933 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -72.5 84.01 1.11 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.817 0.341 . . . . 5.25 110.631 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 120.38 -14.96 10.03 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.872 -0.68 . . . . 1.47 111.734 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -113.16 121.11 43.54 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.295 -0.261 . . . . 1.85 110.295 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -81.44 132.37 35.32 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.285 -0.635 . . . . 2.83 109.285 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . 0.605 ' HE3' ' O ' ' A' ' 676' ' ' PHE . 21.7 ptmt -67.5 141.2 56.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.444 0.64 . . . . 2.24 111.971 -174.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -154.94 113.99 2.36 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 114.776 -1.102 . . . . 1.68 109.177 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -52.62 -30.6 46.1 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.205 2.604 . . . . 0.48 113.593 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -72.33 -52.52 15.79 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.788 -0.365 . . . . 2.21 110.04 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -62.02 -35.57 78.95 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.657 -0.497 . . . . 3.76 109.657 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 33.2 t -52.36 -56.72 13.01 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.42 -0.809 . . . . 1.54 110.41 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.55 -31.97 74.37 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.151 -1.023 . . . . 0.2 112.026 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.66 -51.94 67.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.01 0.433 . . . . 1.54 110.0 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . 0.44 ' HB3' ' HB3' ' A' ' 672' ' ' ALA . 4.5 mm? -67.68 -36.44 80.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.379 -0.373 . . . . 1.91 110.874 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . 0.467 ' CE2' ' HD2' ' A' ' 715' ' ' LYS . 8.3 m-85 -66.48 -38.23 86.83 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 120.926 -0.31 . . . . 1.56 111.191 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 14.0 p -71.93 -40.88 68.43 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.753 -0.379 . . . . 1.1 110.974 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.91 -40.78 95.6 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.289 -0.564 . . . . 2.83 110.03 174.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.62 90.13 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.222 -0.444 . . . . 1.05 110.665 175.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.12 -35.82 80.58 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.801 0.334 . . . . 1.05 110.702 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -59.25 -49.08 79.21 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.985 -0.552 . . . . 1.84 109.64 175.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -66.27 -29.69 69.96 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.897 -0.592 . . . . 1.06 111.088 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -71.89 -50.87 25.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.014 -0.539 . . . . 1.03 110.503 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 45.3 ttp -64.82 -30.6 71.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 1.32 110.143 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -63.53 -41.71 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.814 -0.63 . . . . 2.58 110.341 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -81.48 14.41 2.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 1.11 111.463 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 83.0 mtp 66.32 21.99 10.9 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.215 0.531 . . . . 3.04 111.209 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' A' ' 657' ' ' ASP . 30.8 mmmt -101.52 57.73 0.85 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.208 -0.664 . . . . 2.07 109.208 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . 0.565 ' HA3' ' CZ2' ' A' ' 634' ' ' TRP . . . -54.93 -38.02 64.04 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.319 -0.855 . . . . 0.61 113.63 -175.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -58.86 -49.76 76.53 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 117.07 0.435 . . . . 4.54 110.375 177.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.71 -46.21 91.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.574 -0.528 . . . . 1.6 109.574 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -54.45 -55.34 29.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.988 -1.006 . . . . 1.05 111.331 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . 0.448 ' CB ' ' HB2' ' A' ' 634' ' ' TRP . 5.5 t30 -64.2 -35.9 82.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.396 -0.366 . . . . 1.99 110.87 -176.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.34 -52.2 66.64 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.682 -0.407 . . . . 1.83 110.524 173.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -64.56 -25.69 68.09 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.989 0.366 . . . . 0.98 111.989 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -70.04 -43.77 70.58 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.572 -0.529 . . . . 3.39 109.572 170.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -58.44 -31.33 67.66 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.705 -0.679 . . . . 2.55 110.077 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . 0.474 ' HE2' ' CE1' ' A' ' 676' ' ' PHE . 6.2 tmtp? -82.86 -36.02 25.78 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.087 -0.961 . . . . 2.17 108.983 -175.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.37 89.16 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.821 -0.627 . . . . 1.05 110.466 175.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.98 -43.07 79.79 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.058 -0.519 . . . . 2.16 109.892 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -63.36 -38.44 91.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.338 -0.392 . . . . 2.2 110.429 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.46 58.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.691 0.282 . . . . 1.07 111.087 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 30.2 m0 -71.98 -30.75 65.58 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.205 0.446 . . . . 0.56 112.205 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -76.48 -44.14 36.66 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.965 0.358 . . . . 1.2 111.965 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -79.25 -58.86 3.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.473 -0.33 . . . . 2.88 110.774 -172.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 65.3 mtm 45.52 44.35 9.78 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.203 0.525 . . . . 2.6 110.958 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -154.23 120.2 5.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.647 -0.706 . . . . 4.88 110.013 -175.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . 0.505 ' HB3' ' NZ ' ' A' ' 684' ' ' LYS . 35.4 tt0 . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.68 -0.676 . . . . 5.52 109.848 -177.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.838 0 N-CA-C 112.025 -0.43 . . . . 15.76 112.025 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 23.9 m -80.85 90.89 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.943 0.401 . . . . 14.46 111.239 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -77.17 89.95 3.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.01 -0.541 . . . . 13.82 109.634 176.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -142.69 144.42 32.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.371 -0.377 . . . . 13.5 111.188 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.457 ' HB3' ' OD2' ' A' ' 657' ' ' ASP . 37.5 p -130.17 129.91 22.99 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.858 -0.61 . . . . 9.33 109.84 174.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . 0.489 ' HD2' ' O ' ' A' ' 704' ' ' MET . 57.9 Cg_endo -72.86 58.88 3.42 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.918 2.412 . . . . 7.72 112.304 178.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . 0.432 ' C ' ' H ' ' A' ' 631' ' ' CYS . 18.6 t70 -74.2 -41.11 61.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.857 -0.61 . . . . 7.07 110.644 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 24.6 mtm180 -82.74 23.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.613 0.721 . . . . 9.7 110.22 177.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . 0.432 ' H ' ' C ' ' A' ' 629' ' ' ASP . 57.3 m -131.83 128.36 38.53 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.128 -0.942 . . . . 4.9 108.783 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -123.81 -6.35 7.96 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.811 -0.356 . . . . 5.04 111.598 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -73.4 -24.78 60.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.047 -0.261 . . . . 5.22 111.188 -176.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -73.32 -22.63 60.29 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.08 -0.248 . . . . 3.8 111.009 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.44 -39.47 74.34 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.435 -0.58 . . . . 3.53 109.435 174.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -65.85 -44.68 84.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.594 -0.73 . . . . 5.37 109.881 175.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -56.44 -42.88 78.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.751 -0.659 . . . . 3.28 110.443 175.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 67.0 tp -62.1 -40.8 97.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.63 -0.714 . . . . 2.49 111.19 177.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -60.2 -39.53 86.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.308 -0.406 . . . . 6.23 110.584 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -94.62 8.69 41.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.233 -0.44 . . . . 7.88 111.052 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . 0.457 ' CZ ' HG21 ' A' ' 648' ' ' THR . 49.9 t80 -90.99 35.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.87 0.843 . . . . 5.75 109.734 177.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -81.26 84.01 6.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.617 -0.719 . . . . 5.55 109.461 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 3.6 t -156.95 132.98 9.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.778 -0.647 . . . . 4.74 110.499 -177.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -74.33 -34.14 63.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.711 -0.677 . . . . 5.98 110.841 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 87.1 mt -105.33 -167.87 1.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.414 -0.587 . . . . 8.22 109.414 175.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 62.84 62.31 1.07 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.108 0.48 . . . . 8.8 110.374 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 647' ' ' MET . . . . . 0.449 ' HA ' HE22 ' A' ' 714' ' ' GLN . 24.6 ttt -73.42 116.85 14.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.979 -0.555 . . . . 12.33 110.903 -178.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 648' ' ' THR . . . . . 0.457 HG21 ' CZ ' ' A' ' 641' ' ' TYR . 11.9 t -83.58 136.92 34.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.079 -0.509 . . . . 10.68 109.809 174.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -119.48 8.02 11.26 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.267 0.556 . . . . 13.39 109.623 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 43.1 t -82.32 94.16 7.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.477 -0.783 . . . . 12.44 110.485 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . 0.452 ' HB2' ' HB2' ' A' ' 707' ' ' ARG . 28.9 t70 -96.0 145.56 25.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.909 -0.587 . . . . 13.19 110.172 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -136.42 157.76 46.02 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.014 -0.365 . . . . 15.45 110.014 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -159.11 -74.32 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.579 -0.82 . . . . 13.75 112.531 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 123.34 -92.75 0.46 Allowed Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.81 -0.71 . . . . 12.43 111.98 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -155.01 142.68 19.82 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.211 -0.292 . . . . 10.98 110.211 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 54.0 t80 66.31 124.51 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 O-C-N 124.11 0.881 . . . . 11.86 111.57 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . 0.457 ' OD2' ' HB3' ' A' ' 627' ' ' SER . 22.4 t0 -110.21 120.45 42.47 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.929 -0.578 . . . . 7.62 110.163 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -70.13 -23.09 77.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 121.139 -0.553 . . . . 6.25 112.561 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 659' ' ' MET . . . . . 0.668 ' HE1' ' HH ' ' A' ' 665' ' ' TYR . 18.7 ttt -68.03 116.42 8.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.969 0.414 . . . . 4.16 110.722 178.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -87.22 57.23 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.19 -0.459 . . . . 6.77 111.335 -177.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . 0.528 ' O ' ' HD3' ' A' ' 663' ' ' PRO . 28.6 t70 71.03 -40.59 0.48 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.058 0.943 . . . . 3.86 113.545 174.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.12 106.84 3.16 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 120.774 0.321 . . . . 3.19 111.28 -175.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 661' ' ' ASP . 97.2 Cg_endo -82.42 119.67 3.09 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.019 1.812 . . . . 1.1 112.598 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -80.1 -35.22 37.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.675 0.75 . . . . 3.66 109.775 171.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . 0.668 ' HH ' ' HE1' ' A' ' 659' ' ' MET . 40.2 p90 -65.58 -35.2 80.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.163 -0.926 . . . . 1.2 111.73 -175.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.631 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 51.7 mtt -70.98 -28.69 64.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.649 0.262 . . . . 1.59 110.626 -179.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 59.6 ttp -69.9 -49.05 55.91 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.473 -0.566 . . . . 1.59 109.473 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.15 -33.6 75.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.299 -0.864 . . . . 1.45 110.636 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -78.01 -31.89 50.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.19 -0.459 . . . . 1.05 110.474 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -62.9 -43.67 98.18 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.223 0.535 . . . . 3.87 109.69 175.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -65.65 -44.43 86.35 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.761 -0.654 . . . . 1.89 109.642 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -57.77 -39.96 78.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 1.05 111.166 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.55 -42.69 98.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.859 -0.609 . . . . 1.76 110.334 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.8 mtm -67.59 -25.04 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 1.39 110.483 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.72 -18.91 33.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.483 -0.326 . . . . 1.22 110.635 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -85.64 -62.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.179 -0.209 . . . . 0.99 111.229 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 37.4 p -88.38 -12.28 43.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.954 0.407 . . . . 1.94 111.76 -174.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 103.18 138.22 9.81 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.451 -0.88 . . . . 1.4 111.555 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -130.63 168.56 21.7 Favored Glycine 0 N--CA 1.439 -1.106 0 C-N-CA 120.229 -0.986 . . . . 2.46 112.073 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -79.61 79.42 6.09 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.461 -0.57 . . . . 5.25 109.461 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 122.59 -11.5 8.97 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.667 -0.697 . . . . 1.47 111.51 -174.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -111.84 120.39 41.79 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.176 -0.305 . . . . 1.85 110.176 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.2 122.16 25.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.016 -0.538 . . . . 2.83 109.865 176.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -65.24 134.39 53.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.508 0.671 . . . . 2.24 111.044 -175.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -155.63 109.14 2.18 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.394 -0.821 . . . . 1.68 110.101 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.94 -31.96 65.7 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.971 2.447 . . . . 0.48 113.498 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -69.51 -54.6 13.42 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 120.747 0.308 . . . . 2.21 110.549 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -68.43 -32.47 72.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 3.76 109.854 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 23.3 t -55.18 -46.39 75.81 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.71 -0.677 . . . . 1.54 110.023 176.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.83 -31.48 67.26 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.416 -0.897 . . . . 0.2 112.1 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 695' ' ' GLN . 20.7 t70 -62.1 -45.95 91.22 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.392 -0.596 . . . . 1.54 109.392 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.92 -35.4 72.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.788 -0.642 . . . . 1.91 111.11 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -69.55 -34.04 73.65 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.948 -0.301 . . . . 1.56 111.364 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 11.5 p -73.59 -32.12 63.95 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.359 -0.536 . . . . 1.1 110.011 176.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . 0.499 ' HG2' ' O ' ' A' ' 691' ' ' ASP . 85.4 mm-40 -64.64 -44.07 91.64 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.44 -0.578 . . . . 2.83 109.44 171.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.99 91.84 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.64 -0.709 . . . . 1.05 111.211 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.18 83.33 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.939 0.399 . . . . 1.05 110.491 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . 0.427 ' HG2' ' HE2' ' A' ' 701' ' ' MET . 5.3 tm-20 -61.22 -44.97 96.42 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.753 -0.658 . . . . 1.84 109.373 176.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -69.16 -29.75 67.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.993 -0.549 . . . . 1.06 110.914 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.18 -45.84 65.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.015 -0.539 . . . . 1.03 110.796 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 701' ' ' MET . . . . . 0.427 ' HE2' ' HG2' ' A' ' 698' ' ' GLU . 25.4 ptt? -70.94 -26.37 63.16 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.759 -0.376 . . . . 1.32 110.382 178.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -73.49 -24.65 60.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.041 0.448 . . . . 2.58 110.893 174.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -94.28 11.5 30.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.087 -0.506 . . . . 1.11 110.252 174.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 704' ' ' MET . . . . . 0.489 ' O ' ' HD2' ' A' ' 628' ' ' PRO . 1.0 OUTLIER 53.57 42.11 31.97 Favored 'General case' 0 N--CA 1.46 0.073 0 CA-C-N 115.009 -0.996 . . . . 3.04 111.513 179.351 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? -108.45 80.97 1.4 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.527 -0.76 . . . . 2.07 109.019 174.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -54.68 -58.72 12.13 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.628 -0.715 . . . . 0.61 113.7 -175.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . 0.452 ' HB2' ' HB2' ' A' ' 651' ' ' ASP . 42.0 ttt180 -52.98 -42.23 65.35 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.841 0.353 . . . . 4.54 111.382 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.64 -47.54 78.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.126 -0.488 . . . . 1.6 110.23 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.14 -44.07 83.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.962 -0.563 . . . . 1.05 110.585 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -61.75 -50.8 70.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.017 -0.538 . . . . 1.99 110.692 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -58.74 -52.64 64.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.547 -0.297 . . . . 1.83 111.521 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -59.43 -36.33 75.71 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.134 -0.227 . . . . 0.98 111.446 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -68.45 -39.28 81.51 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.999 0.428 . . . . 3.39 109.896 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . 0.449 HE22 ' HA ' ' A' ' 647' ' ' MET . 29.5 tt0 -67.19 -26.36 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.973 -0.558 . . . . 2.55 110.554 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . 0.415 ' HZ1' ' HB2' ' A' ' 715' ' ' LYS . 0.8 OUTLIER -82.57 -31.5 28.99 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.471 -0.937 . . . . 2.17 108.471 -178.381 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.67 -49.16 74.28 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.458 -0.792 . . . . 1.05 110.001 173.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -64.59 -39.65 94.11 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.992 -0.549 . . . . 2.16 109.99 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.56 -45.62 88.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.755 0.312 . . . . 2.2 110.473 176.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.95 -48.39 78.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.002 -0.545 . . . . 1.07 110.886 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -74.64 -34.61 62.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.321 -0.399 . . . . 0.56 111.888 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -73.74 -35.08 65.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.618 0.246 . . . . 1.2 111.559 -178.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -84.34 -59.92 2.24 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.92 -0.312 . . . . 2.88 111.103 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 72.1 mtm 38.69 45.27 0.89 Allowed 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.57 0.544 . . . . 2.6 111.842 -175.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -139.15 72.02 1.39 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.167 -0.469 . . . . 4.88 110.96 -176.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 C--O 1.25 1.119 0 N-CA-C 109.523 -0.547 . . . . 5.52 109.523 175.469 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 111.6 -0.6 . . . . 15.76 111.6 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 8.0 t -128.78 -35.31 1.9 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.068 0.434 . . . . 14.46 111.304 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -84.58 38.67 0.7 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.075 0.464 . . . . 13.82 111.541 -177.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 61.9 mtm 63.44 66.72 0.68 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.573 -0.739 . . . . 13.5 112.06 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.498 ' HA ' ' HB3' ' A' ' 657' ' ' ASP . 55.8 m -93.71 141.87 24.36 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.552 -0.749 . . . . 9.33 109.863 174.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.85 72.36 3.21 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.785 2.323 . . . . 7.72 112.498 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -79.76 -31.59 40.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.999 -0.546 . . . . 7.07 109.757 176.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -104.62 70.13 0.92 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.645 0.736 . . . . 9.7 109.078 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 7.1 p -102.86 51.39 0.8 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.678 -0.692 . . . . 4.9 110.43 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -116.79 -10.71 11.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.937 -0.574 . . . . 5.04 111.429 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -77.56 -32.81 54.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.67 -0.241 . . . . 5.22 111.239 -174.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . 0.474 ' O ' ' HG ' ' A' ' 638' ' ' LEU . 66.7 p-90 -65.39 -28.74 69.48 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.078 -0.249 . . . . 3.8 111.158 -175.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . 0.405 HD12 ' H ' ' A' ' 635' ' ' LEU . 5.9 mp -62.47 -43.61 98.4 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.147 0.498 . . . . 3.53 110.026 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.481 ' O ' ' HD1' ' A' ' 640' ' ' TRP . 11.1 mm-40 -75.75 -40.86 54.65 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.43 -0.805 . . . . 5.37 110.207 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -54.5 -48.65 71.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.723 -0.672 . . . . 3.28 111.18 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 634' ' ' TRP . 66.1 mt -70.57 -11.92 61.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 2.49 111.791 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -87.21 -24.51 24.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.927 0.394 . . . . 6.23 110.775 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . 0.481 ' HD1' ' O ' ' A' ' 636' ' ' GLU . 68.5 m95 -110.62 9.38 22.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.142 0.496 . . . . 7.88 110.01 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . 0.628 ' OH ' ' HB2' ' A' ' 714' ' ' GLN . 9.0 t80 -78.71 130.28 35.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.73 -0.668 . . . . 5.75 112.25 -167.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . 0.599 ' HA ' ' OE1' ' A' ' 717' ' ' GLU . 47.5 t-20 -166.94 87.04 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.335 -0.848 . . . . 5.55 108.985 173.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 643' ' ' THR . . . . . 0.41 ' OG1' ' HG3' ' A' ' 714' ' ' GLN . 33.3 p -107.18 -75.91 0.62 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.27 -0.423 . . . . 4.74 111.773 -174.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . 71.26 -55.9 0.64 Allowed 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.749 0.819 . . . . 5.98 112.508 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.63 -49.03 3.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.297 -0.252 . . . . 8.22 111.639 -177.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.46 110.02 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.435 0.635 . . . . 8.8 110.709 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 66.8 mtt -87.22 101.83 13.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.835 -0.62 . . . . 12.33 110.226 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 40.9 p -89.98 73.14 7.4 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.268 0.556 . . . . 10.68 110.899 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -97.56 32.97 2.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.769 -0.65 . . . . 13.39 109.979 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 4.0 p -80.93 61.96 4.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.828 -0.624 . . . . 12.44 111.095 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -163.6 145.91 9.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.572 -0.74 . . . . 13.19 109.262 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -120.61 18.11 12.01 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.828 -0.349 . . . . 15.45 111.247 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 130.72 73.91 0.12 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.612 -0.804 . . . . 13.75 112.204 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -66.59 -59.67 6.96 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.254 -0.498 . . . . 12.43 112.741 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 655' ' ' GLU . 0.5 OUTLIER -104.21 114.98 29.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.67 0.748 . . . . 10.98 111.253 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -112.14 36.48 3.33 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.596 -0.89 . . . . 11.86 108.596 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . 0.498 ' HB3' ' HA ' ' A' ' 627' ' ' SER . 25.7 t70 -161.72 154.11 19.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.357 -1.292 . . . . 7.62 108.791 -177.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 144.62 -142.65 11.14 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.061 -0.815 . . . . 6.25 111.061 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -106.2 93.22 4.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.33 0.586 . . . . 4.16 109.95 177.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . 0.461 ' NE2' ' H ' ' A' ' 660' ' ' GLN . 1.0 OUTLIER -123.9 31.11 5.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.679 -0.691 . . . . 6.77 110.44 174.111 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.94 -70.7 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.638 -0.875 . . . . 3.86 108.638 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -126.89 87.32 56.87 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.415 -0.957 . . . . 3.19 108.415 169.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -79.08 120.37 4.57 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.834 1.689 . . . . 1.1 112.425 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . 0.46 ' O ' HD13 ' A' ' 668' ' ' LEU . 15.1 ptt180 -79.99 -21.13 43.99 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.589 -0.444 . . . . 3.66 110.897 177.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -64.13 -29.74 70.85 Favored 'General case' 0 N--CA 1.461 0.077 0 C-N-CA 120.853 -0.339 . . . . 1.2 111.509 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 61.8 mtt -70.04 -42.17 73.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.954 0.406 . . . . 1.59 109.992 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 57.9 ttp -68.63 -43.82 75.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 1.59 110.118 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 664' ' ' ARG . 10.1 mp -66.47 -35.8 81.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.548 -0.751 . . . . 1.45 110.832 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.3 -33.87 59.06 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.956 -0.387 . . . . 1.05 109.956 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -62.2 -45.52 93.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.751 -0.659 . . . . 3.87 109.617 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . 0.433 ' O ' HD23 ' A' ' 675' ' ' LEU . 29.7 tt0 -66.03 -43.84 86.41 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.952 -0.567 . . . . 1.89 109.582 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.33 -41.55 76.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 1.05 111.115 175.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -64.78 -40.32 95.06 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.827 -0.624 . . . . 1.76 110.354 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.5 mtm -70.17 -25.85 63.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 1.39 110.72 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.9 mm? -84.38 -18.58 35.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.942 0.401 . . . . 1.22 110.395 177.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -82.81 -50.6 8.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.173 -0.467 . . . . 0.99 111.13 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 33.6 p -88.43 -28.2 21.05 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.06 0.457 . . . . 1.94 111.365 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 97.02 -164.08 22.45 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.347 -0.701 . . . . 1.4 111.347 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 159.81 -170.91 36.07 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.765 -0.731 . . . . 2.46 111.411 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -83.91 82.88 8.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.064 0.459 . . . . 5.25 109.994 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 127.91 -31.05 3.8 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.361 -0.696 . . . . 1.47 111.361 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -98.57 138.09 36.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.316 -0.624 . . . . 1.85 109.316 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . 0.456 ' O ' HD12 ' A' ' 675' ' ' LEU . 59.4 mm-40 -97.96 154.51 17.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.773 0.32 . . . . 2.83 110.526 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 14.0 ptmm? -90.23 89.49 7.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.873 0.845 . . . . 2.24 109.633 176.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -116.75 108.06 45.37 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.23 -0.896 . . . . 1.68 109.922 -176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.28 -38.96 73.25 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.221 2.614 . . . . 0.48 113.501 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -72.86 -43.29 62.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.847 0.356 . . . . 2.21 110.178 -176.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 688' ' ' ARG . 0.0 OUTLIER -70.03 -40.91 74.89 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.966 -0.753 . . . . 3.76 108.966 -178.402 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 23.1 t -56.25 -54.08 49.56 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.371 -0.831 . . . . 1.54 110.657 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.68 -32.8 79.06 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.243 -0.98 . . . . 0.2 112.237 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 32.8 t70 -64.0 -43.43 95.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.05 0.452 . . . . 1.54 109.839 177.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 33.9 mt -68.88 -37.58 79.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.34 -0.391 . . . . 1.91 110.906 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -66.46 -36.97 84.09 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.931 -0.308 . . . . 1.56 110.94 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 12.3 p -73.0 -37.38 67.01 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.752 -0.379 . . . . 1.1 110.601 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . 0.483 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 26.5 mt-30 -65.16 -39.92 93.62 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.253 0.549 . . . . 2.83 109.673 173.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.59 92.65 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.761 -0.654 . . . . 1.05 110.556 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.78 84.45 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.836 0.35 . . . . 1.05 110.534 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' ' 701' ' ' MET . 28.1 tt0 -57.24 -51.95 67.27 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.32 0.581 . . . . 1.84 109.548 173.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -61.6 -31.77 71.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.789 -0.641 . . . . 1.06 111.179 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -71.07 -48.82 50.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.081 -0.509 . . . . 1.03 110.554 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 701' ' ' MET . . . . . 0.496 ' HG2' ' O ' ' A' ' 698' ' ' GLU . 22.2 ptp -65.25 -31.33 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 1.32 110.611 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -76.78 -16.4 59.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.002 0.429 . . . . 2.58 111.254 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -103.09 13.99 32.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.233 -0.439 . . . . 1.11 111.256 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 22.6 mmt 64.58 34.82 9.65 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.344 0.592 . . . . 3.04 111.489 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -113.98 72.17 0.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.774 -0.648 . . . . 2.07 110.09 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -53.73 -48.34 61.82 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.59 -0.732 . . . . 0.61 113.472 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -60.85 -39.93 90.93 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 117.557 0.678 . . . . 4.54 110.999 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.29 -46.36 89.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.967 -0.382 . . . . 1.6 109.967 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.91 90.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.76 -0.655 . . . . 1.05 110.572 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -61.44 -49.93 74.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.51 -0.768 . . . . 1.99 110.276 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.38 -52.72 64.4 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.903 -0.59 . . . . 1.83 111.311 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -58.2 -34.8 70.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.969 0.359 . . . . 0.98 111.969 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . 0.407 ' O ' ' HG3' ' A' ' 717' ' ' GLU . 12.5 m-85 -67.83 -42.03 82.08 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 120.165 -0.614 . . . . 3.39 110.336 173.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . 0.628 ' HB2' ' OH ' ' A' ' 641' ' ' TYR . 30.7 tt0 -63.54 -29.78 70.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.378 0.609 . . . . 2.55 110.571 178.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -83.45 -33.78 25.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.545 -0.752 . . . . 2.17 109.132 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.53 83.53 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.075 0.464 . . . . 1.05 110.039 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . 0.599 ' OE1' ' HA ' ' A' ' 642' ' ' ASN . 40.5 mt-10 -59.94 -46.62 88.8 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.769 -0.65 . . . . 2.16 110.443 176.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -58.42 -44.19 88.98 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.282 -0.417 . . . . 2.2 110.406 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . 0.562 ' O ' ' HG2' ' A' ' 723' ' ' MET . . . -53.03 -53.93 42.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 1.07 111.096 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -70.43 -37.26 74.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.028 0.381 . . . . 0.56 112.028 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -74.63 -35.81 62.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.931 0.396 . . . . 1.2 111.684 -175.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -70.33 -11.19 60.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.103 -0.499 . . . . 2.88 111.57 -176.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 723' ' ' MET . . . . . 0.562 ' HG2' ' O ' ' A' ' 719' ' ' ALA . 21.5 mmt -77.96 6.92 6.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.909 0.385 . . . . 2.6 111.633 -177.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.61 -18.81 58.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.33 0.586 . . . . 4.88 109.637 171.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.353 -0.832 . . . . 5.52 109.733 177.743 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 112.112 -0.395 . . . . 15.76 112.112 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 39.1 t -77.02 107.67 9.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.094 0.473 . . . . 14.46 110.061 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -122.54 89.51 3.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.855 -0.611 . . . . 13.82 109.656 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 53.9 ttm 67.27 77.29 0.27 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.71 -0.677 . . . . 13.5 110.239 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 69.9 m -101.35 118.28 60.36 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.521 -0.763 . . . . 9.33 110.616 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . 0.815 ' HA ' ' SG ' ' A' ' 631' ' ' CYS . 95.3 Cg_endo -76.53 54.42 4.36 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.268 2.646 . . . . 7.72 112.488 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -67.18 -42.17 84.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.579 -0.737 . . . . 7.07 111.561 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -144.43 3.72 1.16 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.333 -0.394 . . . . 9.7 111.992 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . 0.815 ' SG ' ' HA ' ' A' ' 628' ' ' PRO . 6.2 p -84.78 102.42 13.02 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.778 -0.823 . . . . 4.9 108.778 171.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -116.13 15.31 16.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.193 -0.458 . . . . 5.04 110.612 -176.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.35 -31.8 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 5.22 110.958 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -71.23 -20.27 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 3.8 111.389 -176.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.06 -43.03 99.72 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.55 0.691 . . . . 3.53 109.44 174.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -75.58 -43.96 45.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.063 -0.971 . . . . 5.37 110.009 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.95 -39.76 78.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.636 -0.711 . . . . 3.28 111.649 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.47 -24.04 67.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.353 -0.385 . . . . 2.49 111.465 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -79.73 -13.45 59.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.03 0.443 . . . . 6.23 110.268 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -116.79 9.0 13.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.756 -0.656 . . . . 7.88 110.063 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -98.79 75.87 2.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.895 -0.593 . . . . 5.75 110.447 -173.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -83.01 96.81 8.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.062 -0.517 . . . . 5.55 110.459 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 18.7 p -130.16 125.47 35.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.151 -0.477 . . . . 4.74 110.871 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . 0.434 ' HB3' ' HG3' ' A' ' 717' ' ' GLU . . . -121.22 -69.45 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.197 -0.456 . . . . 5.98 110.278 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.75 -23.71 39.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.646 0.26 . . . . 8.22 111.054 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -75.31 93.27 2.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.31 -0.404 . . . . 8.8 110.142 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 647' ' ' MET . . . . . 0.403 ' HA ' ' OE1' ' A' ' 714' ' ' GLN . 71.0 mtm -66.66 102.47 0.92 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.866 -0.607 . . . . 12.33 110.145 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 7.0 p -86.59 81.97 8.07 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.653 -0.703 . . . . 10.68 111.951 -176.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -82.4 52.37 2.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.264 -0.643 . . . . 13.39 109.264 174.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 38.8 m -90.59 30.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.657 -0.701 . . . . 12.44 111.421 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -148.77 129.09 13.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.286 -0.416 . . . . 13.19 110.179 177.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -93.15 40.64 1.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.065 -0.516 . . . . 15.45 111.289 -177.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 75.49 52.27 6.73 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.828 -0.701 . . . . 13.75 112.564 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -105.59 -128.4 6.14 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.831 -0.7 . . . . 12.43 111.845 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 57.23 84.05 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.638 0.732 . . . . 10.98 111.924 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -100.07 79.5 2.19 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.623 -0.717 . . . . 11.86 109.238 175.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.68 -166.22 1.52 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.384 -0.825 . . . . 7.62 110.433 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -72.47 -46.51 32.35 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.706 -0.759 . . . . 6.25 112.484 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 14.1 tpt 53.37 85.26 0.05 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.28 0.562 . . . . 4.16 110.048 -173.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -78.39 56.11 1.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.65 -0.705 . . . . 6.77 112.415 -171.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 25.7 t0 64.92 -75.74 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.084 -0.962 . . . . 3.86 112.511 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -100.81 106.71 45.49 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.553 0.216 . . . . 3.19 110.524 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.75 121.85 5.22 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.185 1.924 . . . . 1.1 112.526 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . 0.432 ' O ' HD13 ' A' ' 668' ' ' LEU . 6.2 ptm180 -79.1 -32.61 44.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.851 0.358 . . . . 3.66 110.826 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -62.63 -32.16 73.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.414 -0.357 . . . . 1.2 111.194 -176.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 55.5 mtt -73.28 -30.96 63.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.582 -0.281 . . . . 1.59 110.388 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 667' ' ' MET . . . . . 0.425 ' HE3' HD11 ' A' ' 668' ' ' LEU . 10.6 tmm? -72.89 -45.34 58.74 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.609 -0.886 . . . . 1.59 108.609 177.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 664' ' ' ARG . 9.6 mp -60.33 -37.6 81.13 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.618 -0.719 . . . . 1.45 110.374 176.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.09 -33.69 57.0 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.181 -0.463 . . . . 1.05 110.589 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -64.4 -39.36 93.7 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.232 -0.655 . . . . 3.87 109.232 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . 0.426 ' O ' HD21 ' A' ' 675' ' ' LEU . 20.3 tp10 -63.67 -49.4 73.3 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.309 -0.86 . . . . 1.89 108.839 177.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.51 73.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.411 -0.813 . . . . 1.05 111.144 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.94 -39.57 90.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.527 . . . . 1.76 110.307 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 66.4 mtm -74.81 -18.13 60.51 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.31 -0.405 . . . . 1.39 110.615 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.6 mm? -85.07 -28.51 25.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.751 0.31 . . . . 1.22 110.591 175.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -83.63 -50.92 7.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.48 -0.327 . . . . 0.99 111.031 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 74.2 p -89.17 -13.09 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.983 0.42 . . . . 1.94 111.537 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 90.14 -172.01 37.76 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.54 -0.838 . . . . 1.4 111.309 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 163.9 -172.59 39.8 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.201 -1.0 . . . . 2.46 112.274 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -67.79 92.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.908 0.385 . . . . 5.25 110.869 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 90.74 7.5 66.45 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.882 -0.675 . . . . 1.47 112.38 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -106.43 120.84 42.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.061 0.458 . . . . 1.85 110.799 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -80.7 123.25 28.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.705 -0.679 . . . . 2.83 109.902 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 21.1 ptmt -71.38 125.9 28.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.266 0.555 . . . . 2.24 110.114 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -151.37 105.22 2.94 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.877 -0.601 . . . . 1.68 110.215 -175.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -52.2 -32.89 52.11 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 123.344 2.696 . . . . 0.48 113.712 -178.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.91 -51.79 36.2 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 109.21 -0.663 . . . . 2.21 109.21 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -66.75 -36.88 83.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.604 -0.725 . . . . 3.76 109.636 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 20.7 m -54.56 -52.28 62.58 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.522 -0.763 . . . . 1.54 110.492 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.85 -34.85 83.67 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.308 -0.948 . . . . 0.2 112.141 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.36 -44.32 96.75 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.29 0.567 . . . . 1.54 109.831 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 55.5 mt -73.93 -36.37 64.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.89 -0.595 . . . . 1.91 111.137 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -65.95 -37.85 87.08 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.934 -0.306 . . . . 1.56 110.812 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 18.2 p -73.74 -35.66 65.06 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.731 -0.388 . . . . 1.1 110.287 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -66.5 -39.35 88.67 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.259 -0.645 . . . . 2.83 109.259 175.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.77 95.71 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.88 -0.6 . . . . 1.05 110.825 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.95 79.12 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.941 0.401 . . . . 1.05 109.957 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.85 -45.09 94.19 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.799 -0.637 . . . . 1.84 109.632 175.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -68.25 -28.32 67.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 1.06 110.777 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.79 -47.73 36.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 1.03 110.635 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -69.96 -29.89 67.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 1.32 110.242 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -69.28 -31.0 69.22 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.602 -0.518 . . . . 2.58 109.602 175.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -83.58 9.14 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.885 -0.598 . . . . 1.11 111.091 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 62.3 mtt 67.78 31.26 5.95 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.133 -0.485 . . . . 3.04 110.988 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -119.62 78.12 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.424 0.63 . . . . 2.07 110.823 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -62.29 -33.06 84.89 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.067 -0.97 . . . . 0.61 114.01 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -62.47 -49.07 76.86 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 117.537 0.669 . . . . 4.54 109.959 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.98 -45.62 91.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.449 -0.796 . . . . 1.6 110.259 177.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.64 -41.04 80.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.715 -0.675 . . . . 1.05 110.984 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -62.26 -51.97 65.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 1.99 110.205 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -55.89 -56.07 25.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 1.83 110.88 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -61.87 -35.62 78.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.351 0.501 . . . . 0.98 112.351 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -69.69 -40.72 76.18 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 119.461 -0.896 . . . . 3.39 109.724 176.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . 0.403 ' OE1' ' HA ' ' A' ' 647' ' ' MET . 7.5 tt0 -64.2 -25.93 68.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.54 0.686 . . . . 2.55 109.86 178.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -81.47 -35.09 30.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.167 -0.924 . . . . 2.17 108.646 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.28 80.52 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.501 -0.772 . . . . 1.05 110.432 174.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . 0.434 ' HG3' ' HB3' ' A' ' 644' ' ' ALA . 16.6 tp10 -66.02 -43.87 86.39 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.34 -0.846 . . . . 2.16 108.724 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -64.6 -36.73 85.18 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.141 -0.481 . . . . 2.2 111.366 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.91 -51.3 68.08 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.844 0.355 . . . . 1.07 110.764 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -77.19 -28.57 53.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.56 111.79 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -69.56 -39.82 77.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.98 0.419 . . . . 1.2 111.073 177.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -79.07 -59.05 2.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.766 -0.652 . . . . 2.88 110.805 -176.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 71.3 mtm 41.62 43.42 2.34 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.131 0.491 . . . . 2.6 111.156 -175.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -144.22 163.34 33.92 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.817 -0.629 . . . . 4.88 109.578 -172.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.115 -0.945 . . . . 5.52 110.603 178.615 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 112.082 -0.407 . . . . 15.76 112.082 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 5.3 p -135.65 51.08 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.923 0.392 . . . . 14.46 111.531 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -83.91 -13.75 52.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.318 0.58 . . . . 13.82 109.458 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.491 ' SD ' ' HA ' ' A' ' 655' ' ' GLU . 16.9 tpt -152.55 70.55 0.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.456 -0.793 . . . . 13.5 109.775 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 17.8 m -126.69 74.22 75.11 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.058 -0.519 . . . . 9.33 110.671 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . 0.589 ' HA ' ' SG ' ' A' ' 631' ' ' CYS . 90.0 Cg_endo -83.09 49.75 3.13 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.735 2.29 . . . . 7.72 112.446 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -60.16 -41.47 92.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 7.07 111.254 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -109.13 14.51 23.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.759 0.314 . . . . 9.7 111.56 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . 0.589 ' SG ' ' HA ' ' A' ' 628' ' ' PRO . 5.2 p -146.59 51.66 1.12 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.278 0.561 . . . . 4.9 110.713 -178.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -116.28 24.82 11.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.527 0.679 . . . . 5.04 110.021 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -72.54 -19.55 61.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.123 -0.944 . . . . 5.22 110.693 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . 0.436 ' CD2' ' HB2' ' A' ' 701' ' ' MET . 60.0 p-90 -64.87 -27.65 69.01 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.079 -0.51 . . . . 3.8 111.569 -175.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.66 -41.07 98.87 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.523 -0.547 . . . . 3.53 109.523 175.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.503 ' O ' ' HD1' ' A' ' 640' ' ' TRP . 31.7 mm-40 -76.27 -31.77 58.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.679 -0.692 . . . . 5.37 110.664 178.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . 0.457 ' HB1' ' HB2' ' A' ' 710' ' ' ASN . . . -54.88 -43.65 73.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.194 -0.457 . . . . 3.28 111.116 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 11.2 mp -85.49 -10.62 55.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 2.49 111.259 177.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . 0.471 ' HB3' ' HA ' ' A' ' 636' ' ' GLU . 11.5 t-160 -84.43 -40.73 17.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.404 -0.362 . . . . 6.23 110.84 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . 0.503 ' HD1' ' O ' ' A' ' 636' ' ' GLU . 66.1 m95 -69.71 -31.26 69.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.457 -0.338 . . . . 7.88 111.516 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 714' ' ' GLN . 39.4 t80 -127.01 112.94 15.82 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.028 -0.269 . . . . 5.75 111.041 -176.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . 0.527 ' HA ' ' OE2' ' A' ' 717' ' ' GLU . 2.9 t-20 -161.7 101.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.772 -0.649 . . . . 5.55 109.821 173.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 1.4 m -87.65 -55.66 3.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.058 -0.519 . . . . 4.74 110.818 -177.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -127.65 142.18 51.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.097 -0.501 . . . . 5.98 110.502 -176.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 84.3 mt 62.73 91.59 0.07 Allowed 'General case' 0 C--O 1.233 0.208 0 O-C-N 123.862 0.726 . . . . 8.22 111.16 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -74.76 81.6 2.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.568 -0.742 . . . . 8.8 110.544 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 50.6 ttm -79.84 -70.44 0.51 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.297 -0.631 . . . . 12.33 109.297 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.2 m 46.97 68.84 0.56 Allowed 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.717 0.635 . . . . 10.68 111.518 176.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -74.93 93.19 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.022 0.439 . . . . 13.39 110.221 -176.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 56.4 m -80.97 65.43 6.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.093 -0.503 . . . . 12.44 110.373 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 19.4 t70 60.41 73.83 0.47 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.505 -0.771 . . . . 13.19 111.072 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -106.61 98.09 7.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.832 -0.622 . . . . 15.45 110.089 175.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 76.9 18.33 78.92 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.958 -0.639 . . . . 13.75 112.17 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -87.79 -93.4 0.99 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.977 -0.63 . . . . 12.43 112.463 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.491 ' HA ' ' SD ' ' A' ' 626' ' ' MET . 41.9 mt-10 57.75 76.68 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.615 0.366 . . . . 10.98 111.9 -177.279 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -161.58 40.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.256 0.55 . . . . 11.86 110.396 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . 0.47 ' HB3' ' HA ' ' A' ' 626' ' ' MET . 29.4 t70 -72.93 79.55 1.17 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.371 -0.603 . . . . 7.62 109.371 176.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -130.02 -21.26 1.23 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.7 -0.762 . . . . 6.25 113.325 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 659' ' ' MET . . . . . 0.552 ' SD ' ' HB3' ' A' ' 703' ' ' ALA . 13.5 tpt 58.03 90.82 0.04 OUTLIER 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.463 0.649 . . . . 4.16 111.321 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.81 142.23 58.3 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.63 -0.714 . . . . 6.77 109.883 175.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.23 -27.86 69.29 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.652 -0.704 . . . . 3.86 110.761 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -105.36 116.21 60.7 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 108.843 -0.799 . . . . 3.19 108.843 174.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -67.78 121.49 8.55 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 121.915 1.744 . . . . 1.1 112.252 -173.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . 0.469 ' O ' HD11 ' A' ' 668' ' ' LEU . 34.7 ttp85 -77.99 -34.03 51.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.82 -0.627 . . . . 3.66 110.743 -178.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . 0.58 ' CE2' ' HG3' ' A' ' 666' ' ' MET . 32.5 p90 -65.36 -32.0 73.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.932 -0.576 . . . . 1.2 112.152 -174.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 666' ' ' MET . . . . . 0.58 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 48.8 mtt -70.75 -39.51 73.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.585 0.231 . . . . 1.59 111.133 -177.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 667' ' ' MET . . . . . 0.408 ' HE2' HD12 ' A' ' 668' ' ' LEU . 12.5 tmm? -69.78 -42.77 73.37 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 109.079 -0.712 . . . . 1.59 109.079 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.469 HD11 ' O ' ' A' ' 664' ' ' ARG . 8.9 mp -63.57 -36.2 83.01 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.579 -0.737 . . . . 1.45 110.709 177.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.14 -30.9 55.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.902 0.382 . . . . 1.05 110.159 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -62.73 -46.39 88.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.029 -0.532 . . . . 3.87 110.189 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.48 -41.5 93.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.707 -0.479 . . . . 1.89 109.707 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.67 -40.97 76.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.063 0.458 . . . . 1.05 110.941 175.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.73 -44.11 94.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.894 -0.594 . . . . 1.76 110.4 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.8 mtm -67.91 -29.74 68.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.871 -0.604 . . . . 1.39 111.09 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.9 mm? -82.23 -31.11 30.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.685 0.278 . . . . 1.22 111.128 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -72.14 -45.68 59.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.406 -0.361 . . . . 0.99 110.636 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 39.6 p -87.88 -33.07 18.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.327 -0.397 . . . . 1.94 111.887 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 73.05 -136.07 22.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.916 -0.659 . . . . 1.4 111.735 -177.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 86.2 -65.44 3.85 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.801 -0.714 . . . . 2.46 113.339 173.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -75.81 65.95 2.01 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.76 0.314 . . . . 5.25 111.777 -175.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 70.65 5.88 57.52 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 116.171 -0.468 . . . . 1.47 112.406 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 79.5 mt -113.79 132.03 56.01 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.469 0.176 . . . . 1.85 110.729 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -79.64 126.4 30.86 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.587 -0.894 . . . . 2.83 108.587 172.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 22.2 ptmt -61.55 126.27 26.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.255 0.55 . . . . 2.24 110.183 -177.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -134.45 98.07 14.04 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.754 -0.657 . . . . 1.68 110.514 -175.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -55.53 -28.02 62.56 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.945 2.43 . . . . 0.48 113.3 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -67.78 -54.62 17.75 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 120.722 0.296 . . . . 2.21 110.701 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -67.74 -32.79 73.65 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.729 -0.471 . . . . 3.76 109.729 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 28.8 m -56.32 -49.05 75.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.949 -0.568 . . . . 1.54 110.739 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.72 -32.74 70.71 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 120.25 -0.976 . . . . 0.2 112.256 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . 0.501 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 35.4 t70 -64.43 -41.56 96.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.272 0.558 . . . . 1.54 109.689 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 42.3 mt -71.48 -36.88 71.29 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.879 -0.601 . . . . 1.91 111.041 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -70.98 -32.76 69.7 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.947 -0.301 . . . . 1.56 111.545 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 7.3 p -72.47 -37.41 68.48 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.579 -0.448 . . . . 1.1 109.975 176.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 28.0 mt-30 -64.18 -41.54 97.06 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.324 -0.621 . . . . 2.83 109.324 173.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.84 94.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.798 -0.637 . . . . 1.05 111.278 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.38 90.78 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.867 0.365 . . . . 1.05 110.348 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 701' ' ' MET . 19.3 tt0 -59.76 -45.96 90.63 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.758 -0.655 . . . . 1.84 109.522 175.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -69.87 -27.42 64.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.768 -0.651 . . . . 1.06 110.922 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.61 -46.98 51.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.176 -0.465 . . . . 1.03 110.891 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 701' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' A' ' 698' ' ' GLU . 25.1 ptt? -67.46 -27.02 66.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.647 -0.501 . . . . 1.32 109.647 177.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -72.49 -31.04 65.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.183 -0.917 . . . . 2.58 110.525 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . 0.552 ' HB3' ' SD ' ' A' ' 659' ' ' MET . . . -95.26 17.69 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.466 -0.788 . . . . 1.11 111.371 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 49.2 mtt 64.27 29.78 13.65 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.035 -0.53 . . . . 3.04 111.315 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -114.47 85.65 2.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.788 0.327 . . . . 2.07 110.846 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -57.75 -54.35 38.07 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.936 -0.574 . . . . 0.61 113.76 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -62.03 -36.16 80.75 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 117.066 0.433 . . . . 4.54 111.214 -176.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.6 -43.72 96.1 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.788 -0.449 . . . . 1.6 109.788 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.72 90.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.584 -0.734 . . . . 1.05 110.339 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . 0.457 ' HB2' ' HB1' ' A' ' 637' ' ' ALA . 22.2 t-20 -61.4 -50.71 71.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.219 -0.446 . . . . 1.99 110.474 176.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -55.76 -56.2 23.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.132 -0.485 . . . . 1.83 111.083 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -62.14 -32.2 72.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.248 -0.433 . . . . 0.98 111.785 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -70.68 -39.19 73.68 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.383 -0.599 . . . . 3.39 109.383 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 641' ' ' TYR . 7.7 tt0 -64.53 -28.22 69.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.29 -0.868 . . . . 2.55 110.22 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -87.88 -25.3 23.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.651 -0.704 . . . . 2.17 109.266 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.35 -46.94 71.9 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.907 -0.588 . . . . 1.05 109.679 173.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . 0.527 ' OE2' ' HA ' ' A' ' 642' ' ' ASN . 93.1 mt-10 -61.69 -44.98 95.89 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.829 -0.623 . . . . 2.16 109.901 175.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -54.76 -48.19 72.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.977 -0.556 . . . . 2.2 110.69 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -60.57 -44.88 95.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.575 -0.739 . . . . 1.07 111.767 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -78.35 -26.89 46.87 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.277 -0.569 . . . . 0.56 111.505 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -72.93 -22.55 60.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.237 0.541 . . . . 1.2 110.135 174.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -62.97 -22.61 66.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.495 -0.775 . . . . 2.88 110.852 175.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 41.8 mtm -71.25 -17.95 62.46 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.902 0.382 . . . . 2.6 110.705 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -123.51 26.44 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.178 0.513 . . . . 4.88 110.386 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.532 -0.747 . . . . 5.52 109.707 -178.335 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 652' ' ' GLU . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 112.357 -0.297 . . . . 15.76 112.357 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 33.5 t -75.17 130.25 38.88 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.121 -0.696 . . . . 14.46 109.121 174.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -116.86 109.53 17.2 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.015 0.436 . . . . 13.82 111.184 -175.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.467 ' O ' ' HD3' ' A' ' 628' ' ' PRO . 27.9 ttt -70.95 96.63 1.31 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.042 -0.725 . . . . 13.5 109.042 174.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.466 ' HB2' ' O ' ' A' ' 631' ' ' CYS . 5.3 m -76.98 108.88 7.47 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.994 -0.548 . . . . 9.33 111.05 -175.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 626' ' ' MET . 85.2 Cg_endo -82.16 2.09 8.76 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.904 2.403 . . . . 7.72 112.01 -178.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.35 29.79 0.49 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.26 -0.882 . . . . 7.07 110.818 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 63.19 34.75 13.23 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.904 0.859 . . . . 9.7 109.899 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 627' ' ' SER . 63.2 m -119.74 65.46 0.81 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.435 -0.802 . . . . 4.9 109.501 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -112.49 -5.4 14.06 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.672 -0.695 . . . . 5.04 111.1 -177.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -75.58 -33.61 60.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.439 -0.346 . . . . 5.22 111.018 -176.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -71.9 -24.94 61.73 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.947 0.403 . . . . 3.8 110.243 -178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.06 -45.94 91.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.887 -0.597 . . . . 3.53 109.756 176.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -69.37 -36.41 76.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.625 -0.716 . . . . 5.37 110.271 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.32 -46.02 83.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 3.28 110.689 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.494 HD13 ' CE1' ' A' ' 713' ' ' TYR . 3.5 mm? -66.75 -23.11 66.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 2.49 111.488 178.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -79.35 -26.8 42.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.869 0.366 . . . . 6.23 110.584 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -111.66 9.25 21.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.873 0.368 . . . . 7.88 111.385 -178.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . 0.517 ' OH ' ' HA ' ' A' ' 714' ' ' GLN . 15.8 t80 -128.88 83.11 2.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.501 0.667 . . . . 5.75 109.845 176.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -90.0 108.46 19.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.496 -0.775 . . . . 5.55 110.895 -177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 6.9 p -98.06 -66.98 0.87 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.349 -0.387 . . . . 4.74 111.609 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -114.51 56.6 0.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.854 0.359 . . . . 5.98 110.949 -177.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 94.7 mt 57.41 55.21 5.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.58 -0.736 . . . . 8.22 110.374 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -71.54 95.82 1.45 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.68 -0.691 . . . . 8.8 111.04 -177.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 62.6 mtt -111.23 91.67 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.599 -0.728 . . . . 12.33 109.278 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 1.3 m -78.22 65.26 3.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.328 -0.851 . . . . 10.68 111.275 -175.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -110.63 69.81 0.7 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.814 -0.63 . . . . 13.39 109.748 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 52.2 t -151.11 99.59 2.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.894 -0.594 . . . . 12.44 110.285 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.49 39.21 0.77 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.041 0.448 . . . . 13.19 110.769 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . 0.458 ' O ' ' HA3' ' A' ' 623' ' ' GLY . 31.9 tt0 -81.55 103.13 11.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.683 -0.689 . . . . 15.45 109.394 177.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 68.96 66.27 2.33 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.793 -0.717 . . . . 13.75 111.653 -175.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -49.72 -69.6 1.01 Allowed Glycine 0 C--O 1.228 -0.221 0 O-C-N 123.786 0.345 . . . . 12.43 113.242 -176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -97.98 38.79 1.27 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.439 0.638 . . . . 10.98 109.973 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -79.26 84.71 5.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.985 -0.552 . . . . 11.86 109.918 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . 0.401 ' HA ' ' SD ' ' A' ' 704' ' ' MET . 8.1 p-10 -96.7 -7.98 32.62 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.651 -0.704 . . . . 7.62 110.764 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -82.88 65.55 4.11 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 116.013 -0.539 . . . . 6.25 112.807 -177.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 659' ' ' MET . . . . . 0.408 ' HE2' ' O ' ' A' ' 661' ' ' ASP . 1.2 tmt? -67.99 129.91 41.35 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.761 -0.459 . . . . 4.16 109.761 176.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -155.61 76.06 0.94 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.245 0.545 . . . . 6.77 110.714 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . 0.408 ' O ' ' HE2' ' A' ' 659' ' ' MET . 4.1 p-10 -160.48 160.75 32.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.597 -0.729 . . . . 3.86 109.29 177.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.9 127.16 91.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 N-CA-C 109.245 -0.65 . . . . 3.19 109.245 176.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -56.42 116.52 3.24 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.583 1.522 . . . . 1.1 112.024 -171.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -79.86 -32.59 40.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.27 -0.877 . . . . 3.66 110.913 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 705' ' ' LYS . 25.0 p90 -63.63 -27.91 69.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.621 -0.718 . . . . 1.2 111.559 -175.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 67.4 mtt -71.22 -41.74 69.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.028 0.442 . . . . 1.59 110.253 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 44.9 ttp -69.25 -45.12 70.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.732 -0.667 . . . . 1.59 109.701 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.87 -34.2 77.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.595 -0.73 . . . . 1.45 110.803 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.98 -31.61 56.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.87 0.367 . . . . 1.05 110.13 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -65.59 -42.34 91.81 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.558 -0.534 . . . . 3.87 109.558 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -66.22 -44.41 83.89 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.153 -0.684 . . . . 1.89 109.153 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -55.21 -41.7 72.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.873 -0.603 . . . . 1.05 111.406 174.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -64.87 -38.19 90.13 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.697 0.284 . . . . 1.76 110.691 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.4 mtm -73.23 -21.07 60.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.512 -0.313 . . . . 1.39 110.838 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.542 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 4.1 mm? -86.94 -26.91 23.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.69 0.281 . . . . 1.22 110.8 174.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -86.49 -59.32 2.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.567 -0.288 . . . . 0.99 111.445 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 32.5 p -90.38 -4.54 56.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.924 0.393 . . . . 1.94 111.565 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 92.27 150.08 25.41 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.496 -0.859 . . . . 1.4 111.387 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -146.4 -178.23 21.65 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.63 -0.795 . . . . 2.46 112.089 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -71.79 85.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.873 0.368 . . . . 5.25 110.623 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 103.84 -2.7 45.03 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.743 -0.741 . . . . 1.47 111.799 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -109.36 121.32 44.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.755 -0.461 . . . . 1.85 109.755 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -76.34 153.88 35.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.33 -0.619 . . . . 2.83 109.33 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 20.9 ptmt -88.97 127.29 35.66 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.387 -0.525 . . . . 2.24 110.291 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . 0.49 ' OD2' ' HB3' ' A' ' 687' ' ' GLN . 22.3 t70 -151.55 108.9 2.94 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.714 -0.675 . . . . 1.68 110.036 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.44 -29.65 49.86 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.338 2.692 . . . . 0.48 113.811 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . 0.49 ' HB3' ' OD2' ' A' ' 685' ' ' ASP . 27.7 tp60 -66.01 -52.37 49.86 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.649 -0.5 . . . . 2.21 109.649 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -67.02 -35.3 79.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.744 -0.662 . . . . 3.76 109.557 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 17.9 m -55.06 -55.16 34.07 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.683 -0.69 . . . . 1.54 110.659 176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.5 -32.65 71.55 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.139 -1.029 . . . . 0.2 111.858 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 32.3 t70 -62.22 -45.77 91.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.381 0.61 . . . . 1.54 109.723 178.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.34 -34.68 63.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 1.91 111.045 179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . 0.407 ' CE2' ' HD2' ' A' ' 715' ' ' LYS . 7.5 m-85 -65.71 -37.77 87.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.664 0.269 . . . . 1.56 111.108 177.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 15.5 p -72.05 -34.8 69.03 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.625 -0.43 . . . . 1.1 110.171 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 27.9 mt-30 -64.88 -44.37 89.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.881 -0.414 . . . . 2.83 109.881 172.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.91 93.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.016 -0.538 . . . . 1.05 111.039 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -70.12 -35.53 74.16 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.81 0.338 . . . . 1.05 110.526 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -60.6 -45.86 92.41 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.33 -0.618 . . . . 1.84 109.33 174.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -69.16 -26.21 64.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.989 -0.551 . . . . 1.06 110.964 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.03 -50.18 43.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.259 -0.428 . . . . 1.03 110.391 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -69.68 -25.31 63.82 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.704 -0.48 . . . . 1.32 109.704 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -67.56 -39.95 84.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.66 -0.7 . . . . 2.58 109.634 174.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.26 22.35 2.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.276 -0.875 . . . . 1.11 111.919 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 704' ' ' MET . . . . . 0.401 ' SD ' ' HA ' ' A' ' 657' ' ' ASP . 95.0 mmm 65.87 20.44 11.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.098 0.475 . . . . 3.04 111.909 175.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 665' ' ' TYR . 74.5 mmtt -107.86 65.1 0.63 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.078 -0.51 . . . . 2.07 109.734 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -57.39 -36.23 75.62 Favored Glycine 0 CA--C 1.517 0.183 0 CA-C-N 115.688 -0.687 . . . . 0.61 113.199 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -63.6 -45.01 92.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.937 0.398 . . . . 4.54 110.451 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.85 -42.68 98.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.96 -0.564 . . . . 1.6 109.883 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -56.87 -54.13 50.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.34 -0.846 . . . . 1.05 110.73 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -54.45 -48.64 71.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.264 -0.425 . . . . 1.99 110.728 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -57.56 -54.5 46.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.529 -0.305 . . . . 1.83 111.615 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -63.0 -27.01 69.13 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.316 0.487 . . . . 0.98 112.316 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . 0.494 ' CE1' HD13 ' A' ' 638' ' ' LEU . 22.9 m-85 -71.42 -40.79 70.21 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.397 -0.521 . . . . 3.39 109.997 172.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . 0.517 ' HA ' ' OH ' ' A' ' 641' ' ' TYR . 58.0 tp60 -64.69 -24.85 67.7 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.721 0.772 . . . . 2.55 109.629 175.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . 0.407 ' HD2' ' CE2' ' A' ' 693' ' ' TYR . 4.7 tmtp? -83.15 -37.23 23.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.293 -0.867 . . . . 2.17 108.823 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.42 98.88 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.834 -0.621 . . . . 1.05 110.076 173.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.56 -48.62 80.28 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.99 -0.55 . . . . 2.16 109.876 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -53.71 -46.54 70.79 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.169 -0.469 . . . . 2.2 110.725 176.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.27 -54.85 38.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.901 -0.591 . . . . 1.07 111.413 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -73.22 -24.62 60.52 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.044 0.387 . . . . 0.56 112.044 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -72.58 -36.67 68.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.835 0.35 . . . . 1.2 111.203 177.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -83.08 -55.95 4.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.492 -0.322 . . . . 2.88 110.899 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 64.4 mtm 61.75 -85.85 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.84 0.713 . . . . 2.6 111.292 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -66.17 124.0 21.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.082 0.468 . . . . 4.88 110.965 -178.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.67 -0.681 . . . . 5.52 109.32 -179.33 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.754 -0.538 . . . . 15.76 111.754 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 57.2 p -93.95 153.73 18.05 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.308 -0.256 . . . . 14.46 110.308 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -86.95 42.15 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.559 -0.534 . . . . 13.82 109.559 176.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.583 ' HG3' ' O ' ' A' ' 653' ' ' GLY . 26.6 mmt 61.67 93.93 0.04 OUTLIER 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.306 -0.861 . . . . 13.5 110.211 -174.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 10.3 p -67.71 130.18 93.12 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.57 -0.741 . . . . 9.33 111.006 -177.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . 0.443 ' HB2' ' SG ' ' A' ' 631' ' ' CYS . 74.2 Cg_endo -75.22 64.99 6.27 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.994 2.463 . . . . 7.72 111.723 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -66.25 -40.33 90.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.807 -0.633 . . . . 7.07 111.058 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -116.23 37.15 3.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.152 -0.476 . . . . 9.7 111.001 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 628' ' ' PRO . 23.6 p -73.79 2.53 8.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.288 -0.415 . . . . 4.9 112.06 -175.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -110.12 -9.01 14.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.826 0.346 . . . . 5.04 110.623 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -93.72 -40.41 10.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 5.22 111.997 -171.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . 0.475 ' CZ2' ' HA2' ' A' ' 706' ' ' GLY . 63.5 p-90 -65.34 -17.28 64.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.418 -0.355 . . . . 3.8 111.376 -176.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.74 -37.36 65.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 3.53 111.198 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.49 -47.14 85.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.885 0.374 . . . . 5.37 110.26 177.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.28 83.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.867 -0.606 . . . . 3.28 110.723 177.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . 0.457 HD22 ' CZ3' ' A' ' 634' ' ' TRP . 28.8 tp -63.69 -30.67 71.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.573 -0.74 . . . . 2.49 111.602 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -65.34 -27.58 68.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.132 0.492 . . . . 6.23 110.473 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -105.4 10.72 33.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.814 -0.63 . . . . 7.88 110.376 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . 0.409 ' HB2' ' HA ' ' A' ' 638' ' ' LEU . 35.9 t80 -62.01 92.83 0.04 OUTLIER 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.742 -0.663 . . . . 5.75 110.891 -177.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . 0.494 ' HA ' ' OE1' ' A' ' 717' ' ' GLU . 12.4 m120 -125.02 86.6 2.58 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.314 -0.995 . . . . 5.55 108.314 174.336 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 643' ' ' THR . . . . . 0.684 ' HB ' ' OE1' ' A' ' 714' ' ' GLN . 1.2 m -123.56 20.76 9.47 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.062 -0.972 . . . . 4.74 111.141 -168.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 717' ' ' GLU . . . -65.78 -42.14 91.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.274 -0.421 . . . . 5.98 111.658 -175.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 7.9 mp -78.97 -47.76 15.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.031 0.444 . . . . 8.22 110.399 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -105.77 73.57 1.02 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.827 -0.624 . . . . 8.8 110.144 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.14 99.93 1.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 12.33 110.006 -177.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 22.4 p -82.95 84.73 7.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.031 -0.531 . . . . 10.68 111.529 -177.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -81.6 74.38 8.59 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.133 -0.691 . . . . 13.39 109.133 176.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 58.2 m -141.01 52.03 1.6 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.814 -0.63 . . . . 12.44 110.591 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . 0.414 ' OD1' ' HD2' ' A' ' 707' ' ' ARG . 15.7 t70 -110.07 131.81 54.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.205 -0.452 . . . . 13.19 110.437 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -121.71 -5.88 9.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.534 0.683 . . . . 15.45 109.498 176.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . 0.583 ' O ' ' HG3' ' A' ' 626' ' ' MET . . . -80.3 -62.44 2.08 Favored Glycine 0 N--CA 1.442 -0.935 0 CA-C-N 115.436 -0.802 . . . . 13.75 112.515 -176.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 80.88 -45.62 3.19 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.426 -0.892 . . . . 12.43 111.935 -174.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 59.51 71.83 0.56 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.919 0.866 . . . . 10.98 110.101 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -91.99 88.61 6.64 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.981 -1.008 . . . . 11.86 109.533 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -22.48 54.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.505 -0.77 . . . . 7.62 111.83 -175.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 121.56 -29.73 5.57 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.561 -0.828 . . . . 6.25 112.677 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -82.28 84.68 7.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.34 0.591 . . . . 4.16 110.308 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -121.0 31.99 6.15 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.46 -0.791 . . . . 6.77 109.587 169.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -72.03 -69.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.728 -0.669 . . . . 3.86 109.627 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -126.79 86.77 57.98 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.454 -0.573 . . . . 3.19 109.454 172.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 665' ' ' TYR . 1.5 Cg_endo -80.25 122.11 4.57 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.249 1.966 . . . . 1.1 112.166 177.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -77.32 -29.13 53.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.837 0.351 . . . . 3.66 110.739 176.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 663' ' ' PRO . 1.8 p90 -64.02 -23.02 67.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 1.2 111.406 -177.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 19.4 mmt -73.23 -38.88 65.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.649 0.262 . . . . 1.59 110.308 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 59.2 ttp -72.18 -43.35 64.67 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.546 -0.539 . . . . 1.59 109.546 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.55 -39.1 89.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.545 -0.752 . . . . 1.45 110.549 177.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.88 -32.92 57.81 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.739 0.304 . . . . 1.05 110.484 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -61.84 -47.15 86.36 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.7 -0.481 . . . . 3.87 109.7 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . 0.406 ' O ' HD22 ' A' ' 675' ' ' LEU . 32.8 tt0 -65.19 -43.74 90.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.304 -0.628 . . . . 1.89 109.304 178.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -54.56 -41.89 70.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.895 -0.593 . . . . 1.05 111.358 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.52 -41.0 89.45 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.428 -0.351 . . . . 1.76 110.401 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 70.4 mtm -68.43 -26.75 65.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 1.39 110.496 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.406 HD22 ' O ' ' A' ' 671' ' ' GLU . 3.9 mm? -86.39 -23.17 26.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 1.22 110.671 177.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -76.45 -58.36 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.242 -0.436 . . . . 0.99 110.703 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 20.2 p -81.75 -33.1 31.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.236 -0.438 . . . . 1.94 111.435 -176.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . 0.443 ' CA ' ' HB3' ' A' ' 684' ' ' LYS . . . 89.61 165.41 40.9 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.949 -0.643 . . . . 1.4 111.786 -177.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -176.57 -179.8 47.19 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.449 -0.881 . . . . 2.46 112.115 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -76.91 82.85 3.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.207 0.527 . . . . 5.25 109.771 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 148.17 -41.13 0.91 Allowed Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.999 -0.84 . . . . 1.47 110.999 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -112.2 121.07 43.9 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.955 -0.387 . . . . 1.85 109.955 177.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -81.82 120.15 24.8 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.37 -0.604 . . . . 2.83 109.37 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . 0.443 ' HB3' ' CA ' ' A' ' 678' ' ' GLY . 20.5 ptmt -63.01 135.59 57.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.638 0.733 . . . . 2.24 111.729 -175.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -148.78 101.77 3.44 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.011 -0.995 . . . . 1.68 109.265 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -51.58 -33.22 47.41 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.17 2.58 . . . . 0.48 113.636 -177.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -69.08 -54.0 17.36 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.633 0.254 . . . . 2.21 110.389 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -67.08 -34.6 78.01 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.272 -0.64 . . . . 3.76 109.272 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 34.5 t -53.12 -55.16 26.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.717 -0.674 . . . . 1.54 110.528 175.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -66.89 -32.92 82.43 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.228 -0.987 . . . . 0.2 112.085 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.65 -44.59 93.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.145 0.498 . . . . 1.54 109.788 178.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 40.6 mt -70.25 -37.66 74.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.054 -0.521 . . . . 1.91 110.601 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.82 -38.91 87.36 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.19 -0.204 . . . . 1.56 111.129 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 19.6 p -73.58 -34.36 65.08 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.738 -0.385 . . . . 1.1 110.63 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -69.79 -39.51 76.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.938 -0.393 . . . . 2.83 109.938 174.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.95 97.85 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.228 -0.442 . . . . 1.05 110.482 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.78 74.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.849 0.356 . . . . 1.05 110.387 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -60.38 -49.26 78.28 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.862 -0.608 . . . . 1.84 109.709 174.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -66.88 -26.68 67.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.909 -0.587 . . . . 1.06 110.962 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.37 -49.69 25.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.982 -0.554 . . . . 1.03 110.707 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -67.35 -30.84 70.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.978 0.418 . . . . 1.32 110.165 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -68.42 -28.08 66.76 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.168 0.508 . . . . 2.58 109.969 176.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -95.12 17.65 13.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.715 -0.675 . . . . 1.11 111.091 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 26.3 mmt 59.11 41.52 20.41 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.992 -0.549 . . . . 3.04 111.364 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -114.43 84.17 2.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.969 -0.559 . . . . 2.07 110.156 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . 0.475 ' HA2' ' CZ2' ' A' ' 634' ' ' TRP . . . -53.96 -58.43 12.67 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.946 -0.57 . . . . 0.61 114.079 -178.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 707' ' ' ARG . 22.8 ttt180 -57.76 -40.47 79.84 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.997 0.399 . . . . 4.54 111.329 -176.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.74 -51.84 65.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.425 -0.352 . . . . 1.6 110.244 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -59.27 -46.66 87.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.751 -0.659 . . . . 1.05 111.055 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -59.3 -49.83 76.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 1.99 110.385 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -56.05 -56.51 19.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.539 . . . . 1.83 111.531 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -61.9 -32.93 73.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.31 -0.405 . . . . 0.98 111.859 -178.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -69.07 -40.05 78.7 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.359 -0.537 . . . . 3.39 109.95 173.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . 0.684 ' OE1' ' HB ' ' A' ' 643' ' ' THR . 59.8 tp60 -58.79 -37.16 75.71 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.529 0.681 . . . . 2.55 110.299 176.693 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . 0.503 ' HZ3' ' HB2' ' A' ' 715' ' ' LYS . 0.2 OUTLIER -84.35 -27.16 27.91 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 109.061 -0.718 . . . . 2.17 109.061 -175.337 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.58 94.54 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 109.688 -0.486 . . . . 1.05 109.688 172.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . 0.494 ' OE1' ' HA ' ' A' ' 642' ' ' ASN . 28.5 mt-10 -63.55 -48.49 77.28 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.755 -0.657 . . . . 2.16 109.756 177.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -59.33 -37.94 79.07 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.593 -0.276 . . . . 2.2 111.058 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -58.43 -54.01 51.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.634 0.254 . . . . 1.07 110.941 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 24.0 m0 -73.42 -30.48 63.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.339 -0.391 . . . . 0.56 111.937 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -73.4 -41.13 63.71 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.854 0.316 . . . . 1.2 111.854 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' ' 724' ' ' GLU . 21.3 mt-30 -86.59 -58.26 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.461 -0.336 . . . . 2.88 111.249 -175.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 66.0 mtm 50.94 34.22 10.17 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.832 0.348 . . . . 2.6 111.243 -176.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 722' ' ' GLN . 15.1 pt-20 -164.08 33.68 0.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.272 0.558 . . . . 4.88 110.461 -177.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . 0.421 ' C ' ' HZ2' ' A' ' 684' ' ' LYS . 12.7 tp10 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.426 -0.797 . . . . 5.52 109.464 -177.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.072 -0.411 . . . . 15.76 112.072 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 36.9 m 61.91 32.09 17.99 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.891 0.476 . . . . 14.46 111.733 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -106.97 -16.4 14.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.992 0.425 . . . . 13.82 110.305 176.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.407 ' HB3' ' HG2' ' A' ' 655' ' ' GLU . 18.4 ptm -77.48 99.25 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.211 -0.449 . . . . 13.5 110.012 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' SER . . . . . 0.538 ' HA ' ' SD ' ' A' ' 704' ' ' MET . 51.1 m 61.92 68.79 1.06 Allowed Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.517 -0.765 . . . . 9.33 111.17 -177.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.05 -14.47 43.64 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.04 2.493 . . . . 7.72 113.081 -175.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.01 29.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.459 0.647 . . . . 7.07 109.982 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 57.37 42.4 24.92 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.35 -0.841 . . . . 9.7 111.18 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . 0.456 ' O ' ' HD1' ' A' ' 634' ' ' TRP . 46.4 m -107.46 38.6 2.1 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.835 -0.62 . . . . 4.9 109.583 176.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -85.29 4.67 33.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.467 -0.788 . . . . 5.04 110.392 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . 0.456 ' HA ' ' OE1' ' A' ' 636' ' ' GLU . 10.4 p-10 -71.65 -5.23 32.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.364 -0.835 . . . . 5.22 110.768 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . 0.456 ' HD1' ' O ' ' A' ' 631' ' ' CYS . 46.4 p-90 -70.02 -25.1 63.41 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.544 -0.539 . . . . 3.8 109.544 176.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.49 -43.54 96.97 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.516 -0.766 . . . . 3.53 109.483 175.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . 0.456 ' OE1' ' HA ' ' A' ' 633' ' ' ASP . 1.9 mp0 -62.69 -45.73 91.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.587 -0.733 . . . . 5.37 109.732 175.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.12 78.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.626 -0.716 . . . . 3.28 111.384 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.1 -15.21 56.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.439 -0.346 . . . . 2.49 111.584 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -77.71 -33.24 53.16 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.955 -0.387 . . . . 6.23 109.955 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . 0.455 ' HD1' ' O ' ' A' ' 636' ' ' GLU . 86.7 m95 -82.98 1.67 38.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 7.88 110.78 177.104 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -75.14 83.25 2.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.839 -0.619 . . . . 5.75 109.753 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -126.85 52.88 1.73 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.483 -0.78 . . . . 5.55 109.556 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 643' ' ' THR . . . . . 0.436 ' HG1' ' CD ' ' A' ' 717' ' ' GLU . 2.6 p -88.84 -83.61 0.22 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.559 -0.746 . . . . 4.74 111.905 -175.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -125.47 -49.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.857 0.318 . . . . 5.98 111.857 -176.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 87.2 mt -99.16 148.25 24.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.859 0.361 . . . . 8.22 110.649 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -96.92 133.8 41.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.123 -0.49 . . . . 8.8 109.817 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 86.2 mtp -107.83 148.16 29.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.948 0.404 . . . . 12.33 110.368 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 12.4 p -91.04 71.32 6.37 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.087 0.47 . . . . 10.68 110.504 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -79.57 48.84 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.775 0.798 . . . . 13.39 110.885 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 52.3 t -103.74 146.33 28.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.051 -0.977 . . . . 12.44 109.62 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 25.9 t70 59.77 91.86 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.773 0.671 . . . . 13.19 111.426 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -95.36 43.32 1.09 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.129 0.49 . . . . 15.45 109.725 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -76.33 -10.32 85.56 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.687 -0.688 . . . . 13.75 112.642 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -75.66 69.45 2.07 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.833 -0.507 . . . . 12.43 111.833 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . 0.407 ' HG2' ' HB3' ' A' ' 626' ' ' MET . 35.6 mt-10 -84.62 98.77 10.37 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.805 0.336 . . . . 10.98 111.057 -177.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -162.09 136.81 6.95 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.822 -0.626 . . . . 11.86 109.501 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -103.52 116.92 33.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.365 0.602 . . . . 7.62 109.743 176.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -100.77 34.53 5.52 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.918 -0.658 . . . . 6.25 112.987 -175.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 15.1 tpt -112.67 77.88 1.08 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.183 0.516 . . . . 4.16 109.999 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -85.29 -56.31 3.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.972 -0.558 . . . . 6.77 110.185 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -167.92 -38.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.141 -0.481 . . . . 3.86 110.579 -179.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -96.7 100.6 7.49 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.866 -0.606 . . . . 3.19 109.813 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.22 119.88 5.77 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 121.083 1.189 . . . . 1.1 111.292 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -78.5 -28.87 46.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.258 -0.428 . . . . 3.66 111.048 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -66.48 -34.69 78.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.191 -0.459 . . . . 1.2 111.711 -174.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 14.7 mmt -71.35 -38.84 71.6 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.612 -0.435 . . . . 1.59 110.512 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 48.4 ttp -64.89 -49.45 70.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.2 0.524 . . . . 1.59 109.715 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.57 -32.2 73.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.426 -0.806 . . . . 1.45 110.946 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.43 -36.19 58.12 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.871 -0.332 . . . . 1.05 110.371 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -64.12 -42.6 96.8 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.554 -0.535 . . . . 3.87 109.554 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -62.53 -46.6 87.65 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.103 -0.703 . . . . 1.89 109.103 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -59.44 -41.39 89.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.794 -0.639 . . . . 1.05 111.187 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.43 -42.11 99.2 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.19 -0.459 . . . . 1.76 110.183 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 68.9 mtm -67.89 -37.1 81.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 1.39 110.643 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.555 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.7 mm? -72.34 -30.06 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.711 0.291 . . . . 1.22 111.164 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . 0.466 ' CE2' ' HA ' ' A' ' 719' ' ' ALA . 32.4 t80 -82.91 -52.96 6.22 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.948 0.351 . . . . 0.99 111.948 -176.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 47.1 p -80.91 -24.62 38.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.92 0.391 . . . . 1.94 111.919 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 110.26 107.63 3.06 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.988 -0.845 . . . . 1.4 110.988 -175.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -97.81 166.87 22.77 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.505 -0.855 . . . . 2.46 111.888 -176.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.76 74.82 10.41 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.493 0.663 . . . . 5.25 109.582 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 130.17 -13.33 5.74 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 114.916 -1.038 . . . . 1.47 111.02 -173.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -112.23 120.76 42.86 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.056 -0.35 . . . . 1.85 110.056 177.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -73.61 135.69 43.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.483 -0.562 . . . . 2.83 109.483 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 22.1 ptmt -68.27 128.84 38.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.326 0.584 . . . . 2.24 110.798 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -142.49 102.63 5.49 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.387 -0.824 . . . . 1.68 109.696 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . 0.446 ' CB ' ' HG2' ' A' ' 723' ' ' MET . 52.5 Cg_exo -53.97 -31.61 64.35 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.885 2.39 . . . . 0.48 113.33 -176.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . 0.429 ' HA ' ' HE1' ' A' ' 720' ' ' TRP . 57.7 tp60 -69.92 -53.22 18.87 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.617 0.246 . . . . 2.21 110.366 -177.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -65.93 -32.23 73.61 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.503 -0.555 . . . . 3.76 109.503 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 40.6 m -54.59 -53.9 48.53 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.043 -0.526 . . . . 1.54 110.46 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.09 -31.79 72.43 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.267 -0.968 . . . . 0.2 111.92 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . 0.532 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 37.7 t70 -62.02 -46.04 90.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.25 0.548 . . . . 1.54 109.8 176.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 48.6 mt -71.12 -35.6 71.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.931 -0.577 . . . . 1.91 111.022 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -64.08 -39.63 94.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 1.56 110.668 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 11.8 p -74.38 -34.02 63.22 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.831 -0.348 . . . . 1.1 110.667 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 77.7 mt-30 -63.79 -44.96 91.81 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.168 -0.678 . . . . 2.83 109.168 172.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.88 95.16 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.429 -0.805 . . . . 1.05 110.952 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.51 79.83 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.792 0.329 . . . . 1.05 110.639 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.11 -48.03 83.53 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.385 -0.598 . . . . 1.84 109.385 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -65.3 -27.96 68.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.054 -0.521 . . . . 1.06 111.027 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.46 -50.72 35.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.09 -0.504 . . . . 1.03 110.548 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -68.37 -26.98 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.934 0.397 . . . . 1.32 110.032 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -68.57 -37.96 80.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.815 -0.629 . . . . 2.58 109.96 174.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.18 18.54 4.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.81 -0.632 . . . . 1.11 111.711 -177.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 704' ' ' MET . . . . . 0.538 ' SD ' ' HA ' ' A' ' 627' ' ' SER . 62.0 mtm 66.1 28.58 10.23 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.283 -0.417 . . . . 3.04 111.398 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -113.33 72.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.98 0.419 . . . . 2.07 110.032 -178.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -60.75 -39.27 96.47 Favored Glycine 0 CA--C 1.518 0.257 0 CA-C-N 115.993 -0.549 . . . . 0.61 113.953 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -63.69 -42.93 97.94 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.052 0.453 . . . . 4.54 110.183 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.45 -43.76 98.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.752 -0.658 . . . . 1.6 109.629 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.69 -56.48 21.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.721 -0.672 . . . . 1.05 110.804 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -52.96 -48.65 67.22 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.308 -0.405 . . . . 1.99 110.656 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -54.82 -58.26 8.28 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.012 -0.54 . . . . 1.83 111.084 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -62.97 -28.88 70.39 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.777 0.658 . . . . 0.98 112.777 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -68.39 -47.46 67.29 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.451 -0.5 . . . . 3.39 109.753 173.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -66.1 -23.74 66.56 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.703 -0.68 . . . . 2.55 109.979 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -81.26 -34.74 31.88 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.515 -0.92 . . . . 2.17 108.515 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.17 91.68 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.451 -0.795 . . . . 1.05 110.053 171.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . 0.436 ' CD ' ' HG1' ' A' ' 643' ' ' THR . 92.5 mt-10 -59.66 -44.29 93.62 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.734 -0.666 . . . . 2.16 110.131 174.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -54.25 -48.95 70.6 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.117 -0.492 . . . . 2.2 110.319 175.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . 0.466 ' HA ' ' CE2' ' A' ' 676' ' ' PHE . . . -55.82 -53.21 59.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.435 -0.348 . . . . 1.07 111.765 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . 0.429 ' HE1' ' HA ' ' A' ' 687' ' ' GLN . 24.2 m0 -70.66 -25.83 63.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.425 0.528 . . . . 0.56 112.425 -177.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -82.21 -35.64 28.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.089 0.471 . . . . 1.2 111.748 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . 0.618 ' O ' ' HG2' ' A' ' 724' ' ' GLU . 8.8 tt0 -92.39 15.8 13.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.682 -0.69 . . . . 2.88 111.726 -173.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 723' ' ' MET . . . . . 0.446 ' HG2' ' CB ' ' A' ' 686' ' ' PRO . 69.3 mtm -52.15 95.18 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.853 0.359 . . . . 2.6 111.434 177.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 722' ' ' GLN . 11.4 pt-20 -175.84 -161.94 0.09 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.898 -0.592 . . . . 4.88 109.472 -178.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--O 1.25 1.109 0 O-C-N 123.711 0.632 . . . . 5.52 110.755 178.007 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 112.01 -0.436 . . . . 15.76 112.01 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 23.2 m 59.28 42.59 18.11 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 122.486 0.314 . . . . 14.46 110.604 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 41.9 m80 65.14 102.39 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.68 -0.691 . . . . 13.82 110.357 -174.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 95.8 mmm -74.18 71.14 1.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.288 0.566 . . . . 13.5 110.488 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 4.8 p -83.75 117.64 69.21 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.529 -0.76 . . . . 9.33 110.811 -178.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -74.73 78.85 2.71 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.531 2.154 . . . . 7.72 111.69 176.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -73.98 -18.49 60.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.334 0.588 . . . . 7.07 110.311 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 630' ' ' ARG . 20.4 mtm180 -80.63 127.93 33.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.71 -0.677 . . . . 9.7 109.828 176.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 5.2 p -79.28 59.4 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.601 0.715 . . . . 4.9 110.546 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . 0.417 ' HA ' HD13 ' A' ' 635' ' ' LEU . 10.7 pt20 -150.82 -39.18 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.243 -0.89 . . . . 5.04 110.34 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.26 -42.97 99.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.848 -0.615 . . . . 5.22 111.919 -177.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -76.08 -20.7 57.48 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.181 -0.608 . . . . 3.8 110.662 -177.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 632' ' ' GLN . 7.4 mp -69.65 -40.19 76.64 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.484 -0.561 . . . . 3.53 109.484 174.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.87 -44.21 90.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.542 -0.754 . . . . 5.37 109.984 176.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.97 76.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.516 -0.765 . . . . 3.28 110.599 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -31.1 72.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.521 -0.763 . . . . 2.49 110.39 177.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -78.98 -33.85 44.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.288 -0.414 . . . . 6.23 111.03 -176.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -91.86 10.37 28.98 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.059 0.392 . . . . 7.88 112.059 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -57.65 144.0 39.35 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.793 -0.447 . . . . 5.75 109.793 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -98.2 134.99 40.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.524 -0.307 . . . . 5.55 110.633 -173.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 643' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 645' ' ' LEU . 7.1 p -91.31 55.5 2.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.299 -0.409 . . . . 4.74 111.778 -177.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . 69.86 -20.03 0.19 Allowed 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.527 0.936 . . . . 5.98 113.527 173.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . 0.422 ' H ' ' C ' ' A' ' 643' ' ' THR . 96.3 mt -76.91 -19.71 57.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.977 0.417 . . . . 8.22 110.823 -178.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -119.17 162.76 18.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.92 -0.582 . . . . 8.8 109.601 177.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 26.1 ptm -127.15 114.14 17.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.212 0.529 . . . . 12.33 110.281 177.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 40.9 p -125.47 115.11 19.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.967 -0.56 . . . . 10.68 111.473 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -131.36 51.5 2.14 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.205 -1.035 . . . . 13.39 108.205 173.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 21.3 m -92.64 84.05 4.98 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.038 -0.983 . . . . 12.44 111.273 -170.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -160.25 107.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.32 -0.4 . . . . 13.19 110.825 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -96.71 65.8 2.21 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.742 -0.466 . . . . 15.45 109.742 177.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 65.64 47.75 74.11 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.806 -0.712 . . . . 13.75 111.348 -175.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -102.21 -86.74 1.96 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.965 -0.636 . . . . 12.43 113.511 -172.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -78.23 56.52 1.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.23 0.538 . . . . 10.98 112.068 -172.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -101.56 124.5 47.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.83 -0.623 . . . . 11.86 109.892 177.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . 0.664 ' OD2' ' HG3' ' A' ' 659' ' ' MET . 3.1 t70 -128.69 138.84 52.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.921 -0.581 . . . . 7.62 110.57 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -134.66 42.15 1.38 Allowed Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 121.044 -0.598 . . . . 6.25 112.168 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 659' ' ' MET . . . . . 0.664 ' HG3' ' OD2' ' A' ' 657' ' ' ASP . 0.0 OUTLIER -62.39 -22.94 66.54 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.94 0.4 . . . . 4.16 111.07 177.308 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . 0.581 ' HG3' ' SD ' ' A' ' 659' ' ' MET . 29.5 mt-30 -130.5 137.71 49.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.029 -0.73 . . . . 6.77 109.029 170.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -96.27 15.8 20.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.241 0.543 . . . . 3.86 110.539 -178.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -115.51 87.5 17.26 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.429 -0.805 . . . . 3.19 109.46 175.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -81.66 118.05 3.1 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 121.422 1.415 . . . . 1.1 112.221 177.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -81.01 -42.88 20.43 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.666 0.746 . . . . 3.66 109.922 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -61.0 -28.03 68.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.725 -1.125 . . . . 1.2 111.659 -176.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 64.1 mtt -75.19 -36.67 61.43 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.039 -0.264 . . . . 1.59 110.711 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 56.2 ttp -69.29 -45.42 69.63 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.431 -0.581 . . . . 1.59 109.431 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.8 -38.47 88.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.28 -0.873 . . . . 1.45 110.802 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.46 -32.62 54.55 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 121.012 -0.275 . . . . 1.05 110.417 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -64.03 -43.95 94.01 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.805 -0.443 . . . . 3.87 109.805 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.06 -47.13 86.07 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.125 -0.694 . . . . 1.89 109.125 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.86 -39.8 82.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.635 -0.711 . . . . 1.05 111.39 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -65.33 -45.17 85.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 1.76 110.306 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 72.0 mtm -67.07 -27.63 67.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.817 -0.629 . . . . 1.39 110.407 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 61.6 mt -87.22 -9.49 54.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.478 -0.328 . . . . 1.22 111.432 176.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . 0.472 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 63.5 t80 -89.65 -61.23 1.74 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.906 0.384 . . . . 0.99 111.331 178.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 14.0 t -98.99 -7.1 27.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.01 0.433 . . . . 1.94 111.451 -172.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 102.9 118.63 4.49 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.533 -0.841 . . . . 1.4 111.653 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -123.09 -158.39 10.18 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.547 -0.835 . . . . 2.46 112.506 -177.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -76.66 79.83 3.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.984 0.421 . . . . 5.25 110.879 -176.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 92.0 5.89 65.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.905 -0.664 . . . . 1.47 112.621 178.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -101.24 123.48 45.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.126 -0.324 . . . . 1.85 110.126 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.85 137.45 49.44 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.601 -0.518 . . . . 2.83 109.601 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 14.3 ptmm? -83.33 95.59 8.24 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.92 0.867 . . . . 2.24 111.121 -176.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -113.57 103.42 55.4 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 114.976 -1.011 . . . . 1.68 109.833 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -53.21 -28.51 42.47 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.948 2.432 . . . . 0.48 113.343 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -69.29 -54.88 12.4 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.654 0.264 . . . . 2.21 110.434 -177.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -68.95 -32.44 72.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 3.76 110.024 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 689' ' ' SER . . . . . 0.472 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 27.3 t -54.41 -50.16 68.24 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.746 -0.661 . . . . 1.54 110.249 177.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.71 -33.75 81.39 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.364 -0.922 . . . . 0.2 112.058 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -62.5 -44.82 95.44 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.191 0.52 . . . . 1.54 110.387 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 28.8 mt -72.93 -30.51 63.95 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.582 -0.447 . . . . 1.91 111.23 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -67.71 -37.2 81.92 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.752 -0.379 . . . . 1.56 110.919 174.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 18.0 p -71.3 -40.85 70.57 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.807 -0.357 . . . . 1.1 110.387 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -38.42 91.04 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.302 -0.629 . . . . 2.83 109.302 176.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -63.63 -37.69 88.29 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.534 -0.757 . . . . 1.05 111.078 175.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.43 88.31 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.645 0.259 . . . . 1.05 110.725 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -45.14 91.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 1.84 110.005 175.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -70.58 -30.57 67.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 1.06 111.04 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -69.74 -48.38 59.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 1.03 110.704 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -67.88 -28.78 67.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 1.32 110.113 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.31 -26.29 61.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.328 0.585 . . . . 2.58 109.847 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.74 14.97 10.5 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.748 -0.66 . . . . 1.11 110.622 175.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 75.2 mtp 60.7 35.26 19.77 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.438 -0.801 . . . . 3.04 111.253 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -120.03 80.64 1.62 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.863 -0.608 . . . . 2.07 110.834 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -59.12 -37.9 92.33 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.006 -0.997 . . . . 0.61 113.323 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . 0.467 ' O ' ' HG3' ' A' ' 711' ' ' GLN . 50.0 ttp180 -57.6 -49.68 75.63 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 117.19 0.495 . . . . 4.54 110.143 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.08 -47.05 87.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.841 -0.618 . . . . 1.6 110.329 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -59.7 -43.04 94.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.705 -0.68 . . . . 1.05 111.0 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . 0.506 ' C ' HD21 ' A' ' 710' ' ' ASN . 0.2 OUTLIER -61.66 -50.31 73.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.99 109.749 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 707' ' ' ARG . 21.9 mt-30 -57.77 -53.55 56.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.531 . . . . 1.83 110.81 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -60.74 -35.68 76.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.484 . . . . 0.98 112.03 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -66.19 -42.04 89.41 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.257 0.551 . . . . 3.39 109.995 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -66.51 -28.46 68.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.094 -0.957 . . . . 2.55 110.201 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -87.46 -34.88 18.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.618 -0.719 . . . . 2.17 109.393 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.24 91.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.375 0.607 . . . . 1.05 109.951 175.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . 0.4 ' HG2' ' CA ' ' A' ' 643' ' ' THR . 12.6 tp10 -68.31 -40.62 81.64 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.265 -0.88 . . . . 2.16 109.142 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -62.47 -41.27 98.66 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.749 -0.659 . . . . 2.2 110.626 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.7 -50.59 72.69 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.017 -0.538 . . . . 1.07 110.913 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -74.27 -27.96 60.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.56 111.371 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -68.4 -36.03 78.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.845 0.355 . . . . 1.2 111.23 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . 0.426 ' CG ' ' HG2' ' A' ' 724' ' ' GLU . 7.4 tt0 -70.2 -61.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.158 -0.474 . . . . 2.88 111.651 -176.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 58.6 mtm 28.03 53.58 0.07 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.809 0.844 . . . . 2.6 113.229 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . 0.426 ' HG2' ' CG ' ' A' ' 722' ' ' GLN . 13.0 pt-20 -135.75 -4.55 2.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.413 0.625 . . . . 4.88 110.194 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.133 0 N-CA-C 108.39 -0.967 . . . . 5.52 108.39 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.75 0 N-CA-C 111.894 -0.483 . . . . 15.76 111.894 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 81.4 p 53.37 -93.56 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.088 0.955 . . . . 14.46 111.764 -175.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -102.22 -38.28 7.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.163 0.506 . . . . 13.82 109.766 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' MET . . . . . 0.416 ' HB3' ' C ' ' A' ' 654' ' ' GLY . 14.2 tpt -170.17 130.33 0.94 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.213 -0.903 . . . . 13.5 109.228 178.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 26.6 p -69.82 138.68 88.02 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.058 -0.519 . . . . 9.33 110.626 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . 0.47 ' HB3' ' SG ' ' A' ' 631' ' ' CYS . 57.3 Cg_exo -53.76 100.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.137 2.558 . . . . 7.72 112.142 175.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -117.6 -29.4 5.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.198 -0.455 . . . . 7.07 111.567 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . 0.499 ' HG3' ' H ' ' A' ' 631' ' ' CYS . 34.9 ptt180 -121.24 -56.58 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.174 -0.306 . . . . 9.7 110.174 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . 0.523 ' HB3' ' SD ' ' A' ' 704' ' ' MET . 59.4 m 41.95 43.19 2.57 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.097 0.777 . . . . 4.9 113.097 176.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -140.4 8.5 2.22 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.654 -0.418 . . . . 5.04 111.788 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -81.6 -24.71 36.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.896 0.379 . . . . 5.22 110.248 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -63.44 -28.68 70.14 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.955 -0.566 . . . . 3.8 111.572 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -55.0 -48.82 72.82 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.381 -0.6 . . . . 3.53 109.381 174.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -74.62 -47.32 32.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.195 -0.911 . . . . 5.37 110.329 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . 0.46 ' HA ' ' NE1' ' A' ' 640' ' ' TRP . . . -51.49 -50.22 60.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.864 -0.607 . . . . 3.28 111.861 -176.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.33 -11.23 59.93 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.689 -0.405 . . . . 2.49 111.42 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -78.47 -42.84 28.64 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 121.154 -0.218 . . . . 6.23 110.852 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . 0.46 ' NE1' ' HA ' ' A' ' 637' ' ' ALA . 38.2 p-90 -89.62 -10.63 45.24 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.888 -0.325 . . . . 7.88 111.253 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . 0.629 ' HH ' ' HB2' ' A' ' 714' ' ' GLN . 37.0 t80 -78.98 90.94 4.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.056 0.455 . . . . 5.75 110.242 -178.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -129.02 58.31 1.6 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.833 -0.621 . . . . 5.55 109.523 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 4.8 t -146.18 139.23 25.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.018 -0.537 . . . . 4.74 111.163 -174.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . 0.435 ' HB1' ' HB3' ' A' ' 717' ' ' GLU . . . -89.36 -17.42 28.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.892 -0.594 . . . . 5.98 110.945 177.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 78.8 mt -140.02 79.49 1.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.192 -0.458 . . . . 8.22 111.436 -172.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -144.05 145.18 32.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.043 0.449 . . . . 8.8 110.521 173.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 647' ' ' MET . . . . . 0.435 ' SD ' ' N ' ' A' ' 647' ' ' MET . 0.0 OUTLIER -83.95 55.66 3.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.471 -0.786 . . . . 12.33 111.034 -178.264 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.2 p -69.55 128.62 37.13 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.022 -0.535 . . . . 10.68 111.407 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -88.34 75.5 8.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.897 -0.592 . . . . 13.39 110.407 -178.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 59.9 m -110.22 54.6 0.66 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.719 -0.673 . . . . 12.44 109.327 175.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -73.01 152.74 41.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.126 -0.943 . . . . 13.19 111.386 -173.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -81.82 10.93 5.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.691 -0.686 . . . . 15.45 111.697 -175.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -86.56 9.39 71.21 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.009 -0.615 . . . . 13.75 112.27 177.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . 0.416 ' C ' ' HB3' ' A' ' 626' ' ' MET . . . -96.82 -138.18 9.89 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.895 -0.669 . . . . 12.43 111.645 177.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.42 102.36 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.266 0.555 . . . . 10.98 110.489 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -107.15 98.05 7.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.647 -0.706 . . . . 11.86 110.666 -175.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . 0.484 ' CG ' ' H ' ' A' ' 658' ' ' GLY . 8.7 t70 -166.85 -154.92 0.18 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.369 -0.604 . . . . 7.62 109.369 178.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . 0.484 ' H ' ' CG ' ' A' ' 657' ' ' ASP . . . 65.15 40.27 96.73 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.187 -0.53 . . . . 6.25 111.907 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 10.4 tpt -89.9 78.34 6.81 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.369 0.604 . . . . 4.16 110.655 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -52.63 139.59 25.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.709 -1.132 . . . . 6.77 110.415 174.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.82 -32.59 71.96 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.212 -0.904 . . . . 3.86 111.266 -174.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -118.12 91.55 40.43 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.136 -0.69 . . . . 3.19 109.136 174.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -68.21 119.33 6.33 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 121.225 1.283 . . . . 1.1 111.352 -178.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -78.18 -34.78 49.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.59 -0.732 . . . . 3.66 110.746 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -64.95 -34.25 77.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.726 -0.67 . . . . 1.2 111.84 -175.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 62.1 mtt -69.56 -42.14 74.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.723 0.296 . . . . 1.59 110.758 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 58.5 ttp -69.59 -42.35 74.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.015 0.436 . . . . 1.59 109.983 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.94 -33.47 76.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 1.45 110.967 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -78.02 -34.65 50.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 1.05 110.066 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -59.39 -46.62 88.17 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.364 -0.606 . . . . 3.87 109.364 173.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.54 -48.01 81.38 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.436 -0.802 . . . . 1.89 109.2 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.71 79.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.659 -0.701 . . . . 1.05 111.779 179.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.29 -39.2 82.16 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 110.042 -0.355 . . . . 1.76 110.042 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 66.0 mtm -68.02 -29.53 68.55 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.409 -0.36 . . . . 1.39 110.283 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.4 mm? -80.18 -26.75 39.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.737 0.303 . . . . 1.22 110.899 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . 0.538 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 28.6 t80 -79.24 -61.22 2.08 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.901 -0.32 . . . . 0.99 111.059 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 41.2 p -81.74 -32.54 31.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.949 0.404 . . . . 1.94 111.606 -173.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 119.42 115.42 2.56 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.7 -0.96 . . . . 1.4 110.7 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -95.9 24.35 30.19 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.218 -0.991 . . . . 2.46 113.424 -172.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 46.56 54.83 8.29 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.726 0.774 . . . . 5.25 110.101 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 142.79 -26.39 2.23 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.134 -1.186 . . . . 1.47 110.134 -171.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -104.67 120.65 41.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.302 -0.999 . . . . 1.85 108.302 169.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -75.99 130.72 38.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.067 0.46 . . . . 2.83 110.751 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 0.2 OUTLIER -65.3 131.78 47.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.308 -0.86 . . . . 2.24 111.04 -176.593 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -153.77 99.68 2.58 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.264 -0.88 . . . . 1.68 109.676 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.37 -32.45 42.15 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.95 2.433 . . . . 0.48 113.338 -179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -67.04 -55.09 15.87 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 120.698 0.285 . . . . 2.21 110.523 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -69.1 -32.4 71.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.673 -0.492 . . . . 3.76 109.673 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 689' ' ' SER . . . . . 0.538 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 32.3 t -55.52 -51.59 66.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.919 -0.582 . . . . 1.54 110.425 176.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.86 -30.59 67.96 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 120.272 -0.966 . . . . 0.2 111.668 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.61 -42.49 95.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.292 0.567 . . . . 1.54 109.82 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 65.1 mt -70.48 -35.44 73.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.076 -0.511 . . . . 1.91 110.682 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . 0.521 ' HH ' ' HZ2' ' A' ' 715' ' ' LYS . 9.6 m-85 -66.82 -36.89 83.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.751 -0.204 . . . . 1.56 111.018 176.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 11.8 p -72.54 -36.34 68.26 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.667 -0.413 . . . . 1.1 110.326 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -63.39 -42.63 98.8 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.398 -0.593 . . . . 2.83 109.398 172.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.25 91.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.638 -0.71 . . . . 1.05 110.899 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.13 -37.01 84.65 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 110.393 -0.225 . . . . 1.05 110.393 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . 0.4 ' HA ' ' HE3' ' A' ' 701' ' ' MET . 42.8 mt-10 -59.76 -50.85 72.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 1.84 109.927 175.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -65.49 -28.33 69.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 1.06 111.175 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.26 -50.46 27.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.195 -0.457 . . . . 1.03 110.815 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 701' ' ' MET . . . . . 0.4 ' HE3' ' HA ' ' A' ' 698' ' ' GLU . 25.5 ptt? -66.89 -29.24 69.08 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.116 -0.328 . . . . 1.32 110.116 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -64.29 -39.04 93.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.968 -0.56 . . . . 2.58 110.299 174.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.61 21.53 3.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.559 -0.746 . . . . 1.11 111.287 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 704' ' ' MET . . . . . 0.523 ' SD ' ' HB3' ' A' ' 631' ' ' CYS . 21.7 mmt 60.21 31.79 20.62 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.301 0.572 . . . . 3.04 111.198 176.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -106.05 71.24 0.88 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.931 -0.577 . . . . 2.07 109.876 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -51.11 -51.68 34.53 Favored Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.496 -0.775 . . . . 0.61 113.679 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -60.72 -41.94 96.28 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 117.031 0.415 . . . . 4.54 110.987 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.22 -48.19 81.1 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.843 -0.429 . . . . 1.6 109.843 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.32 -51.07 70.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 1.05 110.808 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -52.99 -52.71 57.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.867 -0.606 . . . . 1.99 110.944 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -59.14 -55.61 32.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.098 -0.501 . . . . 1.83 111.513 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -57.6 -34.81 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.706 0.262 . . . . 0.98 111.706 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -72.42 -42.33 65.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 119.989 -0.685 . . . . 3.39 110.117 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . 0.629 ' HB2' ' HH ' ' A' ' 641' ' ' TYR . 63.4 tt0 -64.26 -25.43 68.05 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.481 0.658 . . . . 2.55 110.007 176.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . 0.521 ' HZ2' ' HH ' ' A' ' 693' ' ' TYR . 24.1 tptm -83.19 -34.56 25.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.437 -0.802 . . . . 2.17 108.945 -179.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -61.2 -48.54 81.07 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.89 -0.595 . . . . 1.05 109.782 171.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . 0.435 ' HB3' ' HB1' ' A' ' 644' ' ' ALA . 6.2 mm-40 -60.47 -43.76 96.59 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.264 -0.88 . . . . 2.16 110.818 177.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.99 -44.17 94.7 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.12 0.262 . . . . 2.2 110.519 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.61 -51.63 67.93 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.295 -0.412 . . . . 1.07 111.036 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . 0.44 ' O ' ' HG3' ' A' ' 723' ' ' MET . 30.4 m0 -70.36 -33.27 71.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.56 111.689 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -70.38 -36.19 73.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.52 0.2 . . . . 1.2 111.289 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -71.06 -60.33 2.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.562 -0.29 . . . . 2.88 111.523 -177.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 723' ' ' MET . . . . . 0.44 ' HG3' ' O ' ' A' ' 720' ' ' TRP . 69.2 mtm 34.59 51.69 0.5 Allowed 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.3 0.852 . . . . 2.6 113.3 -178.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -149.13 39.16 0.83 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.175 0.512 . . . . 4.88 111.822 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . 0.512 ' O ' ' HE3' ' A' ' 684' ' ' LYS . 26.4 tt0 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.475 -0.774 . . . . 5.52 109.394 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 N-CA-C 111.611 -0.596 . . . . 15.76 111.611 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 18.1 m -119.0 127.76 53.75 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.053 -0.351 . . . . 14.46 110.053 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' HIS . . . . . 0.66 ' HB2' ' HH ' ' A' ' 656' ' ' TYR . 55.2 p-80 -107.87 117.61 34.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.041 0.448 . . . . 13.82 110.365 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -79.71 93.3 5.53 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.068 -0.514 . . . . 13.5 110.269 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 11.1 p -104.29 141.87 23.42 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.883 -0.599 . . . . 9.33 109.84 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' PRO . . . . . 0.831 ' HA ' ' SG ' ' A' ' 631' ' ' CYS . 85.9 Cg_endo -77.78 50.17 3.17 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.939 2.426 . . . . 7.72 112.263 -178.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.66 -42.91 27.35 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.8 -0.637 . . . . 7.07 111.539 -174.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -140.44 40.32 1.89 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.776 0.322 . . . . 9.7 110.885 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' CYS . . . . . 0.831 ' SG ' ' HA ' ' A' ' 628' ' ' PRO . 12.0 p -131.57 62.99 1.62 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.337 0.589 . . . . 4.9 110.721 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -114.3 -4.73 12.98 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.919 -0.582 . . . . 5.04 110.878 -178.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -81.89 -30.45 31.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 5.22 111.486 -175.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' TRP . . . . . 0.41 ' CZ3' ' HA2' ' A' ' 706' ' ' GLY . 59.5 p-90 -67.35 -24.23 65.69 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.858 -0.337 . . . . 3.8 111.406 -174.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 5.7 mp -68.11 -39.13 82.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.346 0.593 . . . . 3.53 110.142 177.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -77.55 -37.79 49.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.674 -0.694 . . . . 5.37 110.233 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.71 -44.25 93.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.803 -0.635 . . . . 3.28 110.254 175.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 20.5 tp -69.33 -19.26 63.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.646 -0.707 . . . . 2.49 111.256 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -70.09 -31.25 68.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.073 0.463 . . . . 6.23 109.978 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -92.3 8.51 38.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.934 -0.575 . . . . 7.88 110.885 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' TYR . . . . . 0.844 ' HH ' ' HG1' ' A' ' 643' ' ' THR . 76.4 t80 -69.39 127.34 32.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.534 . . . . 5.75 110.569 -178.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' ASN . . . . . 0.437 ' HA ' ' OE1' ' A' ' 717' ' ' GLU . 3.4 t-20 -160.33 87.25 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 5.55 109.959 177.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 643' ' ' THR . . . . . 0.844 ' HG1' ' HH ' ' A' ' 641' ' ' TYR . 22.9 p -98.75 -12.76 20.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.198 -0.456 . . . . 4.74 111.185 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . 70.2 -61.4 0.46 Allowed 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 123.558 0.743 . . . . 5.98 111.449 -177.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 29.9 tp -154.05 52.98 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.064 0.459 . . . . 8.22 111.005 -176.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 646' ' ' GLU . . . . . 0.46 ' HB3' ' HB ' ' A' ' 643' ' ' THR . 32.1 tt0 -126.43 140.96 52.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.775 -0.454 . . . . 8.8 109.775 176.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 26.8 ptm -84.13 134.1 34.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.974 0.416 . . . . 12.33 110.347 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 25.6 p -136.58 105.94 6.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.95 -0.568 . . . . 10.68 110.632 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -130.91 72.1 1.49 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.497 0.665 . . . . 13.39 110.107 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 95.0 m -143.16 62.7 1.39 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.323 -0.853 . . . . 12.44 109.147 175.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -131.37 93.59 3.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.84 -0.618 . . . . 13.19 110.686 -174.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.25 56.1 1.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.132 0.491 . . . . 15.45 110.596 176.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -125.91 106.22 0.85 Allowed Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.862 -0.608 . . . . 13.75 111.792 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -153.58 59.53 0.4 Allowed Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 111.493 -0.643 . . . . 12.43 111.493 -178.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.52 125.02 28.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.985 0.421 . . . . 10.98 110.309 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 656' ' ' TYR . . . . . 0.66 ' HH ' ' HB2' ' A' ' 625' ' ' HIS . 6.1 p90 -86.87 51.39 2.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.685 0.755 . . . . 11.86 111.092 -176.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -129.53 103.08 6.68 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.243 -0.889 . . . . 7.62 109.201 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 109.73 9.42 24.82 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.726 -0.75 . . . . 6.25 111.239 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 13.6 tpt -87.73 101.36 13.6 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.074 0.464 . . . . 4.16 110.548 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -73.69 139.95 45.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.738 -0.665 . . . . 6.77 109.379 172.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -67.75 -22.85 65.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 3.86 111.095 -171.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -99.17 93.48 2.16 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 108.978 -0.749 . . . . 3.19 108.978 170.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -73.74 122.73 7.99 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.036 1.824 . . . . 1.1 112.395 -174.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 664' ' ' ARG . . . . . 0.435 ' O ' HD12 ' A' ' 668' ' ' LEU . 79.9 mtt180 -77.05 -34.75 57.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 3.66 110.937 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -62.76 -31.08 71.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.449 . . . . 1.2 111.974 -174.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 13.2 mmt -72.08 -36.26 69.47 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.45 -0.5 . . . . 1.59 110.614 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 60.1 ttp -70.63 -47.02 62.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.223 0.535 . . . . 1.59 109.573 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 668' ' ' LEU . . . . . 0.435 HD12 ' O ' ' A' ' 664' ' ' ARG . 10.1 mp -63.12 -36.91 85.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.434 -0.803 . . . . 1.45 110.693 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.6 -34.53 53.47 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 121.089 -0.244 . . . . 1.05 110.372 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -64.77 -42.71 94.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.809 -0.441 . . . . 3.87 109.809 175.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 671' ' ' GLU . . . . . 0.401 ' O ' HD22 ' A' ' 675' ' ' LEU . 26.6 tt0 -66.32 -42.97 87.47 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.404 -0.591 . . . . 1.89 109.404 178.074 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.52 78.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 1.05 110.93 174.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -63.44 -44.69 93.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.663 -0.699 . . . . 1.76 110.005 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.0 mtm -71.55 -20.42 62.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.71 -0.677 . . . . 1.39 110.554 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 675' ' ' LEU . . . . . 0.507 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.4 mm? -85.56 -22.77 27.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.514 -0.312 . . . . 1.22 110.611 175.248 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 676' ' ' PHE . . . . . 0.457 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 24.8 t80 -81.92 -58.61 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.949 -0.3 . . . . 0.99 110.935 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 21.3 p -89.61 -15.97 31.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.971 0.415 . . . . 1.94 111.545 -176.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 83.56 165.03 37.59 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.912 -0.661 . . . . 1.4 112.313 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 119.31 169.41 14.28 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.716 -0.754 . . . . 2.46 112.308 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 59.34 27.25 16.29 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 122.696 0.398 . . . . 5.25 111.636 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 92.01 -5.3 78.8 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.552 -0.832 . . . . 1.47 112.503 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -97.2 132.08 43.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.829 0.347 . . . . 1.85 110.393 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -91.39 135.21 33.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.092 -0.503 . . . . 2.83 109.7 175.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 684' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 0.3 OUTLIER -59.54 133.54 56.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.223 0.535 . . . . 2.24 111.625 -178.547 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -154.88 101.76 2.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.472 -0.786 . . . . 1.68 109.362 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.02 -31.82 55.32 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.091 2.527 . . . . 0.48 113.763 -177.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -68.87 -54.54 15.06 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.266 0.555 . . . . 2.21 110.367 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -67.72 -34.65 77.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.401 -0.818 . . . . 3.76 109.521 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 689' ' ' SER . . . . . 0.457 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 25.1 t -55.52 -52.4 63.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.523 -0.762 . . . . 1.54 110.437 176.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.45 -32.9 71.82 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.144 -1.026 . . . . 0.2 111.973 -178.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -63.49 -46.59 85.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.048 0.451 . . . . 1.54 109.891 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.13 -36.83 80.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.089 -0.505 . . . . 1.91 110.939 178.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -65.85 -37.73 86.96 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.607 0.241 . . . . 1.56 111.11 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 7.0 p -72.94 -35.75 67.05 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.572 -0.451 . . . . 1.1 110.555 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -66.81 -40.82 88.18 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.261 0.553 . . . . 2.83 109.861 174.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.21 97.38 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.768 -0.651 . . . . 1.05 110.623 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.76 -33.92 76.69 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.884 0.373 . . . . 1.05 110.309 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.7 -48.94 79.68 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.85 -0.614 . . . . 1.84 109.799 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.84 -25.96 65.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 1.06 110.926 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.27 -46.31 50.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 1.03 110.83 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -71.32 -23.77 62.0 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.258 -0.275 . . . . 1.32 110.258 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -60.92 -39.47 89.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.35 0.595 . . . . 2.58 110.027 171.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -83.68 9.84 10.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.455 -0.793 . . . . 1.11 110.302 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 97.8 mmm 59.75 32.31 21.32 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.438 -0.801 . . . . 3.04 111.186 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -102.71 80.43 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.875 -0.602 . . . . 2.07 109.966 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 706' ' ' GLY . . . . . 0.41 ' HA2' ' CZ3' ' A' ' 634' ' ' TRP . . . -58.34 -41.54 95.15 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.194 -0.912 . . . . 0.61 113.785 -175.023 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -62.58 -47.65 82.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 117.032 0.416 . . . . 4.54 110.981 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 36.6 mt -64.87 -44.65 89.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 1.6 110.26 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.39 -45.95 83.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.768 -0.651 . . . . 1.05 110.612 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -64.16 -44.63 91.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 1.99 110.267 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -56.14 -54.25 47.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.968 0.413 . . . . 1.83 110.923 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -64.9 -30.67 71.67 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.177 0.436 . . . . 0.98 112.177 -178.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -68.05 -42.6 80.27 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.343 -0.543 . . . . 3.39 109.681 171.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -61.02 -29.06 69.49 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.485 -0.78 . . . . 2.55 110.345 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.9 tptm -82.85 -34.17 26.89 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.387 -0.824 . . . . 2.17 109.008 -177.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.62 81.87 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.036 -0.529 . . . . 1.05 109.783 172.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 717' ' ' GLU . . . . . 0.437 ' OE1' ' HA ' ' A' ' 642' ' ' ASN . 10.6 mm-40 -50.75 -53.47 31.36 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.408 -0.814 . . . . 2.16 110.182 173.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -57.83 -43.61 85.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.921 -0.581 . . . . 2.2 111.332 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.0 77.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 1.07 111.276 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -77.18 -28.49 54.04 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.813 -0.355 . . . . 0.56 111.728 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -71.52 -39.46 70.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.284 -0.26 . . . . 1.2 111.582 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -59.91 -62.07 2.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.528 -0.305 . . . . 2.88 111.07 -174.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 60.3 mtm 24.21 51.5 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.413 1.071 . . . . 2.6 113.768 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.7 10.67 3.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.606 0.717 . . . . 4.88 110.0 176.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--O 1.246 0.913 0 CA-C-N 115.034 -0.985 . . . . 5.52 108.851 -179.056 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 665' ' ' TYR . . . . . 0.533 ' HB3' ' HB3' ' A' ' 699' ' ' ALA . 7.1 p90 . . . . . 0 C--O 1.226 -0.17 0 N-CA-C 111.747 0.277 . . . . 0.81 111.747 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 61.0 mtt -73.32 -36.98 66.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.801 0.334 . . . . 1.17 110.23 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 52.9 ttp -68.31 -46.75 69.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.721 -0.474 . . . . 1.2 109.721 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.98 -36.88 85.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.426 -0.806 . . . . 0.82 110.916 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -78.76 -32.09 46.46 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.688 0.28 . . . . 0.23 110.466 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 670' ' ' ARG . . . . . 0.448 ' O ' ' HG3' ' A' ' 674' ' ' MET . 12.9 tpp180 -65.38 -44.43 87.59 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.678 -0.49 . . . . 3.33 109.678 176.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 671' ' ' GLU . . . . . 0.418 ' O ' HD23 ' A' ' 675' ' ' LEU . 34.7 tt0 -66.11 -42.58 89.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.492 -0.559 . . . . 1.89 109.492 176.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.15 -40.01 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.23 111.126 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.56 -39.06 91.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.922 -0.581 . . . . 1.76 109.924 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 674' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 670' ' ' ARG . 61.0 mtt -66.36 -29.45 69.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.819 -0.628 . . . . 0.79 110.66 176.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 671' ' ' GLU . 4.6 mm? -85.72 -14.66 44.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.769 0.319 . . . . 0.53 110.499 177.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 36.0 t80 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.317 -0.401 . . . . 0.82 110.801 -179.155 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 C--O 1.233 0.235 0 N-CA-C 109.553 -0.536 . . . . 1.68 109.553 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 686' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 719' ' ' ALA . 62.1 Cg_exo -53.39 -31.42 57.36 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.961 2.441 . . . . 0.42 113.584 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -69.66 -55.18 10.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.554 -0.294 . . . . 2.21 110.385 -176.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -67.42 -34.34 77.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.725 -0.472 . . . . 3.24 109.725 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 17.2 t -55.62 -50.77 69.28 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.683 -0.69 . . . . 1.11 110.326 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.34 -35.63 82.73 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.374 -0.917 . . . . 0.19 112.5 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -65.19 -36.78 85.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.155 0.502 . . . . 1.54 110.487 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 38.1 mt -73.53 -38.3 65.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.258 -0.428 . . . . 1.35 110.687 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -69.32 -34.62 74.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.692 -0.231 . . . . 1.33 111.554 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 21.9 p -69.87 -39.65 76.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.915 0.388 . . . . 0.31 110.173 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -65.27 -42.19 93.46 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.01 -0.541 . . . . 2.13 109.89 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.83 89.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.821 -0.627 . . . . 0.18 110.795 177.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.6 91.64 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.475 0.179 . . . . 0.2 110.901 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.18 -46.81 87.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 1.84 110.171 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 665' ' ' TYR . . . -70.77 -29.14 65.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.807 -0.633 . . . . 0.21 110.974 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.48 -48.84 37.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 0.16 111.172 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -69.02 -23.23 64.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.024 0.44 . . . . 0.76 110.05 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -69.57 -33.05 72.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.822 -0.626 . . . . 2.58 109.994 174.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -87.6 19.43 3.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.666 -0.697 . . . . 0.45 111.152 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 77.9 mtp 68.07 13.57 9.14 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.744 -0.662 . . . . 2.61 111.564 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 705' ' ' LYS . . . . . 0.509 ' HD3' HD12 ' A' ' 708' ' ' LEU . 55.1 mttm -106.61 85.1 2.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.194 0.521 . . . . 1.59 111.233 -178.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -63.75 -35.17 91.67 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.43 -0.804 . . . . 0.47 113.495 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 707' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 707' ' ' ARG . 5.1 tpm_? -60.24 -46.18 90.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.067 0.433 . . . . 3.9 110.745 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 708' ' ' LEU . . . . . 0.509 HD12 ' HD3' ' A' ' 705' ' ' LYS . 44.3 mt -65.08 -45.26 85.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 1.02 110.597 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.09 -43.76 82.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.972 -0.558 . . . . 0.21 110.489 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -62.49 -49.91 73.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.485 -0.78 . . . . 1.6 111.052 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -61.79 -49.76 75.05 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.673 0.249 . . . . 1.83 111.673 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -60.51 -34.29 73.87 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.895 -0.322 . . . . 0.44 111.266 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -72.18 -37.1 69.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.597 -0.52 . . . . 2.95 109.597 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.28 -31.38 70.18 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.467 -0.788 . . . . 1.98 109.798 174.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -84.71 -31.18 24.2 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.246 -0.888 . . . . 1.67 108.761 -174.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.54 94.82 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.359 -0.837 . . . . 0.25 109.911 175.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -65.48 -43.97 88.58 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.64 -0.709 . . . . 2.16 110.312 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -57.85 -43.22 85.74 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.794 0.331 . . . . 2.2 110.935 176.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 719' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 686' ' ' PRO . . . -55.07 -49.91 70.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.863 -0.608 . . . . 0.37 110.927 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 41.1 m0 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.396 -0.366 . . . . 0.47 111.432 179.839 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 4.5 p90 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.731 0.3 . . . . 0.81 111.673 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 68.4 mtt -73.26 -36.02 66.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.025 0.441 . . . . 1.17 109.954 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -71.38 -45.97 61.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.93 -0.767 . . . . 1.2 108.93 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.47 -39.12 82.67 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.829 -0.623 . . . . 0.82 110.733 176.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -74.24 -34.97 63.82 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 120.887 0.375 . . . . 0.23 110.336 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -65.17 -41.89 94.22 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.179 -0.464 . . . . 3.33 109.864 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 671' ' ' GLU . . . . . 0.458 ' O ' HD23 ' A' ' 675' ' ' LEU . 37.4 tt0 -64.99 -43.94 90.92 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.953 -0.758 . . . . 1.89 108.953 177.308 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.74 73.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.23 111.319 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.02 -39.35 87.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 1.76 110.536 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 72.4 mtm -71.34 -23.65 61.96 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-O 120.78 0.324 . . . . 0.79 110.572 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 671' ' ' GLU . 3.5 mm? -82.78 -27.5 30.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.568 -0.287 . . . . 0.53 110.629 176.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 676' ' ' PHE . . . . . 0.454 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 32.9 t80 . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 120.709 0.29 . . . . 0.82 111.009 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 . . . . . 0 C--O 1.235 0.337 0 N-CA-C 110.254 -0.276 . . . . 1.68 110.254 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -52.3 -31.47 46.95 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.909 2.406 . . . . 0.42 113.286 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -55.1 19.19 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.523 -0.547 . . . . 2.21 109.523 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -67.77 -29.4 68.59 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.004 -0.543 . . . . 3.24 109.832 -177.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 689' ' ' SER . . . . . 0.454 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 23.1 t -56.0 -51.51 67.51 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.065 -0.516 . . . . 1.11 110.302 175.611 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.29 -31.74 68.75 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.053 -1.07 . . . . 0.19 111.73 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.577 ' O ' ' HG2' ' A' ' 695' ' ' GLN . 18.1 t70 -60.15 -49.15 78.79 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 109.426 -0.583 . . . . 1.54 109.426 176.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.06 -35.94 79.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.659 -0.701 . . . . 1.35 111.418 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.62 -35.62 77.54 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.707 -0.397 . . . . 1.33 111.238 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 4.8 p -72.14 -38.73 69.16 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.389 -0.525 . . . . 0.31 110.302 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 695' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 691' ' ' ASP . 90.3 mm-40 -63.77 -41.9 97.89 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.443 -0.577 . . . . 2.13 109.443 175.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -62.88 -40.08 96.42 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.587 -0.733 . . . . 0.18 110.778 176.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.16 82.64 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.624 0.25 . . . . 0.2 110.342 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.69 -51.93 66.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.91 -0.404 . . . . 1.84 109.91 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -63.75 -27.81 69.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.21 110.896 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.36 -51.08 18.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.178 -0.464 . . . . 0.16 110.733 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -66.71 -33.02 74.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.614 -0.266 . . . . 0.76 110.886 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -73.89 -26.25 60.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 2.58 110.552 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -88.7 17.2 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.45 110.93 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 74.4 mtp 64.64 27.47 13.22 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.861 -0.609 . . . . 2.61 111.576 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 705' ' ' LYS . . . . . 0.439 ' HB3' ' HB2' ' A' ' 708' ' ' LEU . 71.5 mmtt -106.33 74.08 1.01 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.736 0.303 . . . . 1.59 110.473 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -52.79 -50.95 47.72 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.718 -0.674 . . . . 0.47 113.627 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -59.35 -45.1 92.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.359 . . . . 3.9 111.305 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 708' ' ' LEU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 705' ' ' LYS . 4.0 mm? -61.54 -47.32 86.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.5 . . . . 1.02 110.097 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.19 88.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.517 -0.765 . . . . 0.21 110.632 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -59.71 -53.69 55.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 1.6 109.855 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -55.17 -58.2 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.354 -0.839 . . . . 1.83 111.063 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -65.37 -31.53 72.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.141 0.423 . . . . 0.44 112.141 -174.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -70.27 -45.61 66.04 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.171 -0.677 . . . . 2.95 109.171 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -66.3 -24.46 66.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.309 -0.86 . . . . 1.98 110.345 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -81.1 -32.23 33.95 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.696 -0.853 . . . . 1.67 108.696 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.9 -49.39 72.86 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.866 -0.606 . . . . 0.25 109.469 171.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -54.23 -46.41 72.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.168 -0.924 . . . . 2.16 110.213 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.6 -44.71 95.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 2.2 110.809 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.35 -45.89 83.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.37 111.076 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 33.7 m0 . . . . . 0 C--N 1.326 -0.427 0 C-N-CA 120.78 -0.368 . . . . 0.47 111.775 179.041 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 7.7 p90 . . . . . 0 N--CA 1.456 -0.151 0 N-CA-C 111.984 0.364 . . . . 0.81 111.984 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 61.2 mtt -76.6 -40.02 50.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.768 0.318 . . . . 1.17 110.632 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -69.68 -42.67 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.956 -0.757 . . . . 1.2 108.956 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.474 HD23 ' HG3' ' A' ' 695' ' ' GLN . 7.1 mp -62.4 -39.56 93.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.234 -0.894 . . . . 0.82 110.78 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.18 -35.68 61.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 120.834 -0.347 . . . . 0.23 110.578 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 47.6 ttp85 -67.16 -38.07 84.85 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.508 -0.553 . . . . 3.33 109.508 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.72 -45.48 82.54 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.05 -0.722 . . . . 1.89 109.05 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.406 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -57.0 -39.15 74.15 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.804 -0.634 . . . . 0.23 111.064 175.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.13 -41.69 97.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 1.76 110.488 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 75.8 mtm -70.34 -24.53 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.79 110.429 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.575 HD11 ' NH1' ' A' ' 688' ' ' ARG . 3.5 mm? -80.21 -30.19 38.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.856 0.36 . . . . 0.53 110.842 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 676' ' ' PHE . . . . . 0.47 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 24.7 t80 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.461 -0.336 . . . . 0.82 111.473 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 16.6 t70 . . . . . 0 N--CA 1.457 -0.122 0 N-CA-C 110.355 -0.239 . . . . 1.68 110.355 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.7 -31.76 62.2 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.918 2.412 . . . . 0.42 113.066 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -66.73 -53.92 28.32 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 110.052 -0.351 . . . . 2.21 110.052 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 688' ' ' ARG . . . . . 0.575 ' NH1' HD11 ' A' ' 675' ' ' LEU . 25.3 ttm180 -68.48 -33.91 75.0 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.573 -0.528 . . . . 3.24 109.573 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 689' ' ' SER . . . . . 0.47 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 22.0 t -54.78 -53.14 59.05 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.08 -0.509 . . . . 1.11 110.262 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.05 -31.27 72.16 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.196 -1.002 . . . . 0.19 111.839 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.35 -45.29 93.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.196 0.522 . . . . 1.54 110.048 176.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 60.1 mt -71.4 -34.24 70.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.725 -0.671 . . . . 1.35 110.716 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 693' ' ' TYR . . . . . 0.406 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 9.2 m-85 -69.18 -37.31 78.09 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.978 -0.289 . . . . 1.33 111.393 176.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 8.3 p -73.37 -36.07 66.04 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.726 -0.39 . . . . 0.31 110.355 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 695' ' ' GLN . . . . . 0.474 ' HG3' HD23 ' A' ' 668' ' ' LEU . 60.1 tp60 -65.38 -41.49 93.7 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.178 -0.675 . . . . 2.13 109.178 174.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.16 96.39 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.643 -0.708 . . . . 0.18 110.814 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.04 -35.74 80.54 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.863 0.363 . . . . 0.2 110.142 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.06 -47.89 82.69 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.972 -0.558 . . . . 1.84 109.807 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.35 -27.25 66.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.018 0.437 . . . . 0.21 110.878 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.23 -49.36 35.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.161 -0.472 . . . . 0.16 110.723 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -68.22 -28.55 67.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.995 0.426 . . . . 0.76 109.946 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -65.55 -40.69 93.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.86 -0.609 . . . . 2.58 110.193 175.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -90.28 17.85 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.689 -0.687 . . . . 0.45 111.891 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 50.8 ttm 62.78 49.57 3.66 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.406 0.622 . . . . 2.61 110.777 176.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -124.94 85.07 2.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.198 -0.455 . . . . 1.59 110.066 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -60.54 -52.17 54.22 Favored Glycine 0 CA--C 1.518 0.276 0 CA-C-N 115.936 -0.575 . . . . 0.47 113.288 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 35.5 ttp85 -61.85 -39.06 90.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.986 0.393 . . . . 3.9 111.056 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.7 -49.07 74.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.456 -0.338 . . . . 1.02 110.142 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.74 -48.37 81.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.875 -0.602 . . . . 0.21 110.769 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -57.36 -52.65 64.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.972 -0.558 . . . . 1.6 110.329 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -55.14 -55.42 31.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.881 0.372 . . . . 1.83 111.301 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -62.5 -32.08 72.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.07 0.396 . . . . 0.44 112.07 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -72.57 -37.81 68.08 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.218 -0.593 . . . . 2.95 109.813 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -66.38 -27.63 68.01 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.657 0.741 . . . . 1.98 109.847 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -83.5 -32.13 26.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.11 -0.95 . . . . 1.67 109.108 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.32 -48.18 76.59 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 109.573 -0.529 . . . . 0.25 109.573 171.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -51.41 -52.61 44.53 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.219 -0.901 . . . . 2.16 110.141 173.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.34 -42.99 96.84 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.403 -0.362 . . . . 2.2 111.462 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.62 74.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.697 0.284 . . . . 0.37 111.064 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 32.9 m0 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.312 -0.404 . . . . 0.47 111.881 -179.231 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 1.6 p90 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.601 0.239 . . . . 0.81 111.371 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 55.7 mtt -71.76 -33.18 68.43 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.931 -0.308 . . . . 1.17 110.428 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 667' ' ' MET . . . . . 0.455 ' HG3' ' NH2' ' A' ' 670' ' ' ARG . 56.7 ttp -70.56 -45.06 66.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.045 0.45 . . . . 1.2 109.922 177.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.7 -36.16 82.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.82 110.552 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.98 -34.42 59.78 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.054 -0.35 . . . . 0.23 110.054 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 670' ' ' ARG . . . . . 0.455 ' NH2' ' HG3' ' A' ' 667' ' ' MET . 50.9 ttp180 -63.68 -45.32 90.64 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.96 -0.564 . . . . 3.33 109.77 175.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.51 -44.78 95.52 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.478 -0.783 . . . . 1.89 109.008 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.2 91.02 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.333 -0.848 . . . . 0.23 111.46 177.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.91 -40.03 94.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.982 0.42 . . . . 1.76 110.64 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 87.8 mtp -72.5 -28.45 62.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.139 -0.482 . . . . 0.79 110.643 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 29.6 mt -84.73 -17.14 39.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.628 -0.26 . . . . 0.53 111.594 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 34.8 t80 . . . . . 0 C--N 1.322 -0.592 0 C-N-CA 120.696 -0.402 . . . . 0.82 110.521 178.605 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 16.6 t70 . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 110.302 -0.258 . . . . 1.68 110.302 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.95 -32.88 59.58 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.245 2.63 . . . . 0.42 113.547 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -68.66 -51.14 45.21 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.746 -0.465 . . . . 2.21 109.746 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -63.51 -37.68 88.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.719 -0.673 . . . . 3.24 109.234 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 18.3 m -56.77 -50.25 72.86 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.904 -1.044 . . . . 1.11 110.883 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.66 -33.88 77.13 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.278 -0.963 . . . . 0.19 112.122 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 3.7 m-20 -60.96 -46.8 89.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 1.54 110.013 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 41.5 mt -69.43 -37.0 77.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.272 -0.422 . . . . 1.35 111.28 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -65.0 -38.48 91.11 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.954 -0.298 . . . . 1.33 111.221 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 12.7 p -72.43 -38.95 68.21 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.717 -0.393 . . . . 0.31 110.479 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 695' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 79.2 mt-30 -63.34 -43.37 97.91 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.296 0.57 . . . . 2.13 109.515 175.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.18 95.0 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.387 -0.824 . . . . 0.18 110.823 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.47 93.53 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.873 0.368 . . . . 0.2 110.7 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -60.53 -45.57 93.37 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.873 -0.603 . . . . 1.84 109.781 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.15 69.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.21 111.042 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -69.53 -48.25 61.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.999 -0.546 . . . . 0.16 110.785 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 701' ' ' MET . . . . . 0.457 ' HB3' ' CB ' ' A' ' 709' ' ' ALA . 25.9 ptt? -72.08 -25.14 61.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.342 -0.39 . . . . 0.76 110.686 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.59 -29.31 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.171 0.51 . . . . 2.58 109.878 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -90.45 20.24 4.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.918 -0.583 . . . . 0.45 111.055 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 47.5 tpp 69.47 -2.84 1.77 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.521 0.677 . . . . 2.61 111.321 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -87.1 53.24 2.76 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.457 -0.571 . . . . 1.59 109.457 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -60.7 -24.7 62.54 Favored Glycine 0 C--O 1.226 -0.349 0 CA-C-N 115.483 -0.781 . . . . 0.47 113.567 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -62.63 -45.45 92.79 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.721 -0.474 . . . . 3.9 109.721 175.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.36 -44.12 95.87 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.753 -0.658 . . . . 1.02 109.839 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 709' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 701' ' ' MET . . . -55.45 -54.09 48.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.341 -0.845 . . . . 0.21 111.175 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -57.3 -43.81 83.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 1.6 110.536 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -57.73 -52.76 64.13 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.681 0.277 . . . . 1.83 111.197 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -61.16 -30.54 70.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.793 0.294 . . . . 0.44 111.793 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.51 -41.27 76.27 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.28 0.562 . . . . 2.95 109.864 173.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 23.8 tm0? -62.28 -31.05 71.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.445 -0.798 . . . . 1.98 109.378 176.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -82.32 -37.27 26.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.229 -0.896 . . . . 1.67 108.83 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -61.63 -45.44 94.05 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.154 -0.475 . . . . 0.25 110.195 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.26 -42.04 99.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.759 -0.655 . . . . 2.16 109.61 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.4 -43.79 92.91 Favored 'General case' 0 C--N 1.335 -0.053 0 CA-C-N 116.199 -0.455 . . . . 2.2 110.743 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.08 -51.27 66.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.37 110.925 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 24.2 m0 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 0.47 112.044 179.85 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 30.9 p90 . . . . . 0 C--O 1.223 -0.306 0 CA-C-O 120.565 0.222 . . . . 0.81 111.179 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 58.0 mtt -71.57 -37.33 71.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.105 0.479 . . . . 1.17 110.045 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 53.3 ttp -69.47 -44.36 71.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.002 -0.545 . . . . 1.2 109.561 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.7 -33.05 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.724 -0.671 . . . . 0.82 110.926 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.39 -32.38 54.79 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 110.061 -0.348 . . . . 0.23 110.061 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -63.44 -42.66 98.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.196 0.522 . . . . 3.33 109.628 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -64.2 -46.9 81.86 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.874 -0.788 . . . . 1.89 108.874 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' A' ' 692' ' ' LEU . . . -56.65 -40.74 75.99 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.385 -0.825 . . . . 0.23 111.136 176.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -62.46 -44.02 97.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 1.76 110.073 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.1 mtm -67.95 -27.31 66.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.524 . . . . 0.79 111.071 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.05 -26.61 26.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.62 0.248 . . . . 0.53 111.109 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 50.2 t80 . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.555 -0.293 . . . . 0.82 111.233 -177.281 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 N--CA 1.456 -0.148 0 N-CA-C 109.485 -0.561 . . . . 1.68 109.485 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -52.42 -30.84 45.37 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.211 2.608 . . . . 0.42 113.763 -176.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 687' ' ' GLN . . . . . 0.453 ' HA ' ' HE1' ' A' ' 720' ' ' TRP . 20.5 tm0? -72.26 -50.15 29.48 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.835 -0.431 . . . . 2.21 109.835 -177.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -68.58 -31.84 71.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.448 -0.575 . . . . 3.24 109.448 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 20.1 m -54.85 -51.12 66.91 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.443 -0.799 . . . . 1.11 110.124 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.5 -32.88 75.72 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.261 -0.971 . . . . 0.19 112.077 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -59.17 -51.27 70.72 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.089 0.471 . . . . 1.54 109.742 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 692' ' ' LEU . . . . . 0.517 ' HB3' ' HB2' ' A' ' 672' ' ' ALA . 3.2 mm? -69.5 -34.49 74.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 1.35 111.364 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 693' ' ' TYR . . . . . 0.422 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 10.1 m-85 -68.5 -39.1 81.4 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.809 -0.356 . . . . 1.33 111.333 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 13.2 p -71.65 -37.22 70.85 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.621 -0.432 . . . . 0.31 110.085 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -67.3 -37.71 83.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 2.13 110.12 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -63.46 -38.91 92.97 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.306 -0.406 . . . . 0.18 110.605 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.9 -36.0 79.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.925 0.393 . . . . 0.2 110.037 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.8 -45.77 92.4 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.786 -0.643 . . . . 1.84 109.9 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.8 -28.85 67.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.181 0.515 . . . . 0.21 110.684 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.63 -48.88 52.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.831 -0.622 . . . . 0.16 110.283 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -70.19 -25.25 63.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.76 110.23 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.96 -42.94 89.27 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.305 0.574 . . . . 2.58 109.87 171.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -82.43 17.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.46 -0.791 . . . . 0.45 111.13 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 98.1 mmm 57.61 44.62 20.54 Favored 'General case' 0 CA--C 1.523 -0.084 0 CA-C-N 115.746 -0.661 . . . . 2.61 110.505 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -122.23 78.02 1.45 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.491 -0.777 . . . . 1.59 109.633 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -64.12 -40.16 97.83 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.397 -0.82 . . . . 0.47 113.495 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -66.51 -43.43 85.27 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 117.262 0.531 . . . . 3.9 110.492 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.11 -45.46 94.59 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.004 -0.544 . . . . 1.02 109.857 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -56.74 -46.96 81.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.284 -0.871 . . . . 0.21 110.789 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -58.45 -50.1 74.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 1.6 110.872 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 711' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 714' ' ' GLN . 59.4 tt0 -59.43 -54.55 45.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.78 0.324 . . . . 1.83 111.697 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -62.13 -32.12 72.67 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.652 -0.419 . . . . 0.44 111.557 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -71.26 -36.37 71.72 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.277 -0.638 . . . . 2.95 109.277 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 714' ' ' GLN . . . . . 0.46 ' HB3' ' O ' ' A' ' 711' ' ' GLN . 25.6 tt0 -60.49 -35.18 75.32 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.535 -0.757 . . . . 1.98 110.377 173.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -81.98 -30.24 31.72 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.882 -0.784 . . . . 1.67 108.882 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.54 -51.45 59.8 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.033 -0.53 . . . . 0.25 110.229 173.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -58.33 -46.04 86.94 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.564 -0.743 . . . . 2.16 110.113 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.64 -41.16 97.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 2.2 110.758 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.16 -53.5 57.39 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.438 -0.346 . . . . 0.37 110.916 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 720' ' ' TRP . . . . . 0.453 ' HE1' ' HA ' ' A' ' 687' ' ' GLN . 22.4 m0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.449 -0.341 . . . . 0.47 111.425 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 665' ' ' TYR . . . . . 0.472 ' CE2' ' HG3' ' A' ' 666' ' ' MET . 32.2 p90 . . . . . 0 C--O 1.227 -0.096 0 CA-C-O 120.601 0.239 . . . . 0.81 110.868 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.472 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 67.4 mtt -70.7 -37.05 73.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.96 0.409 . . . . 1.17 109.959 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 58.7 ttp -69.6 -46.79 65.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.693 -0.685 . . . . 1.2 109.758 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.14 -35.42 81.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.537 -0.756 . . . . 0.82 110.965 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.63 -32.27 57.92 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.842 0.353 . . . . 0.23 110.322 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -64.71 -42.24 95.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.747 -0.464 . . . . 3.33 109.747 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -65.63 -44.88 85.08 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.872 -0.604 . . . . 1.89 109.416 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 692' ' ' LEU . . . -53.8 -43.52 69.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.99 -0.55 . . . . 0.23 111.616 175.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.07 -37.7 86.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.957 0.408 . . . . 1.76 110.13 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.4 mtm -73.18 -22.88 60.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.79 110.813 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.33 -13.71 45.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.107 0.479 . . . . 0.53 110.082 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 115.829 -0.623 . . . . 0.82 111.474 -176.569 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 31.9 t70 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.649 -0.5 . . . . 1.68 109.649 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.71 -28.81 31.19 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.138 2.559 . . . . 0.42 113.325 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -67.51 -51.26 53.14 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 110.092 -0.336 . . . . 2.21 110.092 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -69.43 -32.61 71.68 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.728 -0.471 . . . . 3.24 109.728 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 17.3 t -54.69 -49.97 69.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.001 -0.545 . . . . 1.11 110.133 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -71.45 -29.48 68.03 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.359 -0.924 . . . . 0.19 111.713 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.99 -39.29 93.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.288 0.566 . . . . 1.54 109.805 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 692' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 672' ' ' ALA . 3.8 mm? -76.61 -35.59 58.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.005 -0.543 . . . . 1.35 111.065 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -66.32 -36.32 82.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.714 0.292 . . . . 1.33 111.072 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 17.4 p -71.99 -37.23 69.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.844 0.354 . . . . 0.31 110.241 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.51 -42.89 86.64 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.179 -0.464 . . . . 2.13 110.023 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.56 87.32 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.829 -0.623 . . . . 0.18 110.727 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.63 -36.38 82.45 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 120.776 0.322 . . . . 0.2 110.826 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.7 -40.84 98.39 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.258 -0.428 . . . . 1.84 110.129 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -71.78 -28.71 63.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.925 -0.58 . . . . 0.21 110.559 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -71.65 -48.39 48.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.757 -0.656 . . . . 0.16 110.418 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -66.86 -27.6 67.66 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.027 -0.269 . . . . 0.76 110.576 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.85 -40.22 94.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.289 0.566 . . . . 2.58 109.754 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -91.45 23.73 3.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.426 -0.806 . . . . 0.45 111.576 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 83.5 mtp 58.41 39.72 24.95 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.254 0.55 . . . . 2.61 111.478 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -112.51 65.14 0.63 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.988 -0.551 . . . . 1.59 109.642 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -54.0 -58.27 13.33 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 115.685 -0.689 . . . . 0.47 114.512 -173.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.46 -35.83 72.77 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 117.202 0.501 . . . . 3.9 110.997 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.23 -46.55 76.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 1.02 109.958 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.23 -48.06 79.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.557 -0.747 . . . . 0.21 110.494 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.98 -46.17 88.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 1.6 110.805 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -57.52 -50.69 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.337 . . . . 1.83 110.952 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -62.97 -32.06 73.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.434 -0.348 . . . . 0.44 111.787 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -69.45 -40.96 76.86 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.093 0.473 . . . . 2.95 109.971 171.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -60.31 -33.19 72.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.442 -0.799 . . . . 1.98 110.36 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -85.28 -27.73 25.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.519 -0.764 . . . . 1.67 109.123 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.08 87.65 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.967 -0.56 . . . . 0.25 110.099 172.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -58.26 -48.88 79.05 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.925 -0.579 . . . . 2.16 110.312 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -59.72 -44.15 93.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.701 -0.681 . . . . 2.2 110.365 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.72 -45.74 81.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.496 -0.32 . . . . 0.37 111.517 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 30.4 m0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.855 0.36 . . . . 0.47 111.313 179.476 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 665' ' ' TYR . . . . . 0.61 ' OH ' ' HE3' ' A' ' 705' ' ' LYS . 28.7 p90 . . . . . 0 C--O 1.225 -0.23 0 N-CA-C 112.198 0.444 . . . . 0.81 112.198 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 67.9 mtt -72.25 -42.84 65.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.77 0.319 . . . . 1.17 110.414 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -70.23 -43.6 70.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.857 -0.794 . . . . 1.2 108.857 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.9 mp -60.23 -41.73 93.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.529 -0.76 . . . . 0.82 110.895 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.77 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.747 0.308 . . . . 0.23 110.525 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -65.42 -41.98 92.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.26 -0.427 . . . . 3.33 109.929 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.24 -41.59 76.79 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.553 -0.536 . . . . 1.89 109.553 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.46 70.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.931 0.396 . . . . 0.23 110.92 174.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -68.53 -37.14 79.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 1.76 110.149 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.7 mtm -73.09 -17.03 61.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.79 110.405 176.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.73 -29.57 22.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.16 -0.473 . . . . 0.53 110.107 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 16.1 t80 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.5 -0.318 . . . . 0.82 111.422 -177.737 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 C--O 1.234 0.241 0 N-CA-C 109.259 -0.645 . . . . 1.68 109.259 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -52.16 -31.18 44.36 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.145 2.563 . . . . 0.42 113.435 -175.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -67.12 -55.18 15.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.705 0.288 . . . . 2.21 110.593 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 688' ' ' ARG . . . . . 0.476 ' O ' ' HD3' ' A' ' 688' ' ' ARG . 0.9 OUTLIER -68.55 -30.4 69.18 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.264 -0.643 . . . . 3.24 109.264 -178.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 29.0 m -54.79 -51.5 65.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.841 -0.618 . . . . 1.11 110.405 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.24 -35.45 82.89 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.352 -0.928 . . . . 0.19 112.023 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.576 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 2.0 m-20 -61.86 -47.93 82.78 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.946 -0.302 . . . . 1.54 110.322 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 692' ' ' LEU . . . . . 0.435 HD22 ' CZ ' ' A' ' 688' ' ' ARG . 23.7 tp -74.52 -32.0 62.34 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.633 -0.427 . . . . 1.35 110.861 -178.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -66.37 -35.84 81.35 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 120.888 -0.325 . . . . 1.33 110.8 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 9.8 p -75.53 -33.21 60.69 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.648 -0.421 . . . . 0.31 110.418 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 695' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 55.2 mt-30 -65.43 -41.02 93.98 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.126 -0.694 . . . . 2.13 109.126 172.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.75 94.0 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.573 -0.739 . . . . 0.18 110.807 175.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.22 85.77 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.623 0.249 . . . . 0.2 110.466 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -60.21 -49.99 75.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 1.84 109.837 175.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -64.92 -30.27 71.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.21 110.838 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.15 -53.16 18.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.54 . . . . 0.16 110.761 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -69.08 -25.59 64.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.848 0.356 . . . . 0.76 110.349 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.15 -32.91 69.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.394 0.616 . . . . 2.58 109.844 174.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.91 18.21 5.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.508 -0.769 . . . . 0.45 111.086 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 7.1 tpt 67.11 23.32 9.65 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.894 -0.594 . . . . 2.61 111.018 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 705' ' ' LYS . . . . . 0.61 ' HE3' ' OH ' ' A' ' 665' ' ' TYR . 75.0 mmtt -102.07 76.25 1.58 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.05 -0.523 . . . . 1.59 110.474 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -57.42 -50.42 65.02 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.256 -0.497 . . . . 0.47 113.353 -178.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 707' ' ' ARG . . . . . 0.431 ' HG3' ' OE1' ' A' ' 711' ' ' GLN . 2.7 tpp180 -53.29 -50.25 65.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.086 0.47 . . . . 3.9 110.968 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.32 -45.93 91.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.508 -0.769 . . . . 1.02 110.579 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.56 89.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.21 110.986 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -61.49 -50.25 73.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 1.6 110.572 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 711' ' ' GLN . . . . . 0.431 ' OE1' ' HG3' ' A' ' 707' ' ' ARG . 25.5 mt-30 -56.7 -56.19 24.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 1.83 111.504 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -61.38 -33.08 73.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.289 -0.414 . . . . 0.44 111.851 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -71.4 -41.03 70.12 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.395 -0.522 . . . . 2.95 109.627 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -64.57 -25.41 67.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.631 0.729 . . . . 1.98 109.97 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -86.02 -32.05 21.67 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.423 -0.808 . . . . 1.67 108.983 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.23 -46.18 84.96 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.844 -0.616 . . . . 0.25 110.051 173.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -62.44 -43.17 99.47 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.668 -0.697 . . . . 2.16 110.259 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.95 -44.86 87.23 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.085 -0.507 . . . . 2.2 110.683 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.31 -52.32 63.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.37 111.33 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 34.5 m0 . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 111.996 0.369 . . . . 0.47 111.996 -178.534 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 665' ' ' TYR . . . . . 0.63 ' OH ' ' HE2' ' A' ' 705' ' ' LYS . 44.7 p90 . . . . . 0 C--O 1.225 -0.194 0 N-CA-C 111.795 0.294 . . . . 0.81 111.795 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.492 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 63.8 mtt -69.74 -32.92 71.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.62 0.247 . . . . 1.17 110.606 -177.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 58.9 ttp -70.8 -44.47 66.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.401 -0.592 . . . . 1.2 109.401 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.54 -36.3 83.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.474 -0.784 . . . . 0.82 110.733 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.59 -32.93 53.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.403 -0.362 . . . . 0.23 110.333 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 670' ' ' ARG . . . . . 0.533 ' O ' ' HG3' ' A' ' 674' ' ' MET . 34.4 ttm180 -65.2 -40.47 94.22 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.55 -0.537 . . . . 3.33 109.55 176.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -63.51 -48.2 78.56 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.979 -0.748 . . . . 1.89 108.979 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.9 -40.73 76.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.245 -0.888 . . . . 0.23 111.674 177.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -69.32 -33.49 73.23 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.266 -0.272 . . . . 1.76 110.266 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 674' ' ' MET . . . . . 0.533 ' HG3' ' O ' ' A' ' 670' ' ' ARG . 84.4 mtp -68.73 -30.76 69.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.431 -0.35 . . . . 0.79 110.257 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.58 -35.63 52.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.53 110.993 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 36.8 t80 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.128 -0.487 . . . . 0.82 111.258 -175.844 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 30.0 t70 . . . . . 0 C--O 1.233 0.202 0 N-CA-C 110.174 -0.306 . . . . 1.68 110.174 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.82 -30.07 66.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.954 2.436 . . . . 0.42 113.13 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -67.57 -54.32 20.87 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.917 -0.401 . . . . 2.21 109.917 -176.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -70.13 -31.47 69.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.991 -0.374 . . . . 3.24 109.991 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 45.2 m -55.98 -47.32 77.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.11 110.234 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.1 -32.47 72.9 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.252 -0.975 . . . . 0.19 111.852 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 33.1 t70 -63.38 -44.79 93.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.238 0.542 . . . . 1.54 110.2 178.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 50.2 mt -72.03 -35.8 69.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.988 -0.551 . . . . 1.35 110.986 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -70.14 -33.68 72.1 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.023 -0.271 . . . . 1.33 111.298 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 5.3 p -70.89 -37.15 73.0 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.572 -0.451 . . . . 0.31 110.115 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 695' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 75.8 mt-30 -66.17 -41.31 90.49 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.217 -0.447 . . . . 2.13 109.816 174.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.3 97.29 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.18 111.138 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.85 -35.9 81.1 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.2 110.222 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.52 -48.81 80.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.812 -0.631 . . . . 1.84 109.957 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -66.62 -28.32 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 0.21 110.913 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -74.3 -51.2 15.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 0.16 110.678 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -63.62 -35.02 79.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.76 110.199 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -70.72 -28.75 64.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.906 -0.588 . . . . 2.58 109.947 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -92.06 21.04 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.799 -0.637 . . . . 0.45 111.407 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 44.8 ttm 71.59 4.45 5.05 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.191 0.519 . . . . 2.61 111.622 174.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 705' ' ' LYS . . . . . 0.63 ' HE2' ' OH ' ' A' ' 665' ' ' TYR . 30.5 mmmt -88.14 62.39 6.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.172 -0.467 . . . . 1.59 110.323 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -53.51 -47.54 62.96 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-N 115.942 -0.572 . . . . 0.47 114.216 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -64.29 -42.54 96.36 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 117.339 0.569 . . . . 3.9 110.826 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.48 -41.49 96.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.358 -0.383 . . . . 1.02 110.137 177.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.09 -47.1 81.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.794 -0.639 . . . . 0.21 110.612 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -58.64 -48.77 79.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.847 -0.615 . . . . 1.6 110.626 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -58.38 -54.31 48.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.437 -0.347 . . . . 1.83 111.508 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -59.96 -33.12 71.5 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.099 -0.241 . . . . 0.44 111.129 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -71.03 -39.38 72.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.808 -0.441 . . . . 2.95 109.808 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -64.35 -26.25 68.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.855 -0.611 . . . . 1.98 110.116 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -85.43 -32.33 22.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.532 -0.758 . . . . 1.67 108.986 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.37 -49.3 69.85 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.789 -0.641 . . . . 0.25 109.999 174.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -60.87 -43.45 98.38 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.539 -0.755 . . . . 2.16 110.328 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.83 -42.71 89.87 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.404 -0.362 . . . . 2.2 110.63 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -58.65 -52.18 66.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.37 111.23 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 33.9 m0 . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 111.722 0.267 . . . . 0.47 111.722 -177.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 665' ' ' TYR . . . . . 0.421 ' CZ ' ' HG3' ' A' ' 705' ' ' LYS . 8.5 p90 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.642 0.258 . . . . 0.81 111.268 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 60.5 mtt -73.58 -33.54 64.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.88 0.371 . . . . 1.17 110.17 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -72.16 -44.48 63.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.927 -0.768 . . . . 1.2 108.927 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.27 -35.58 79.41 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.715 -0.675 . . . . 0.82 110.619 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.69 -32.3 57.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.359 . . . . 0.23 110.401 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 670' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 674' ' ' MET . 60.9 ttt180 -63.9 -43.69 95.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.927 -0.579 . . . . 3.33 109.467 174.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -63.03 -48.03 80.5 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.889 -0.782 . . . . 1.89 108.889 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -57.03 -42.62 80.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.363 -0.835 . . . . 0.23 111.465 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -68.36 -35.25 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.635 0.255 . . . . 1.76 110.37 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 674' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 670' ' ' ARG . 64.8 mtm -72.57 -27.0 61.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.663 0.268 . . . . 0.79 110.647 177.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.21 -28.72 31.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.415 -0.357 . . . . 0.53 111.208 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 676' ' ' PHE . . . . . 0.621 ' CZ ' ' HA ' ' A' ' 719' ' ' ALA . 11.9 t80 . . . . . 0 C--N 1.325 -0.466 0 C-N-CA 120.874 -0.331 . . . . 0.82 111.8 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 CA--C 1.528 0.105 0 N-CA-C 109.512 -0.551 . . . . 1.68 109.512 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.83 -31.64 34.14 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.297 2.665 . . . . 0.42 113.74 -176.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -68.02 -52.63 33.4 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 120.966 0.412 . . . . 2.21 110.024 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -66.27 -36.64 83.5 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.162 -0.681 . . . . 3.24 109.162 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 689' ' ' SER . . . . . 0.403 ' HB3' ' HB2' ' A' ' 676' ' ' PHE . 20.0 m -54.41 -54.56 39.07 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.261 -0.881 . . . . 1.11 110.582 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.43 -31.14 76.09 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.288 -0.958 . . . . 0.19 111.881 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.18 -44.0 96.65 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.601 -0.518 . . . . 1.54 109.601 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.55 -36.32 73.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.037 -0.529 . . . . 1.35 110.82 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 693' ' ' TYR . . . . . 0.422 ' HB3' ' HB2' ' A' ' 716' ' ' ALA . 24.6 m-85 -63.41 -42.63 98.76 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.802 0.334 . . . . 1.33 110.7 176.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 15.7 p -71.18 -37.33 72.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.468 -0.333 . . . . 0.31 110.44 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -65.89 -40.6 91.7 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.56 -0.533 . . . . 2.13 109.56 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.19 94.21 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.963 -0.562 . . . . 0.18 110.922 175.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.83 -37.23 85.67 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.2 110.34 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.66 -46.69 88.67 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.103 -0.499 . . . . 1.84 110.092 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -68.12 -28.9 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.968 0.413 . . . . 0.21 110.738 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.24 -51.7 28.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.824 -0.626 . . . . 0.16 110.241 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -69.24 -25.65 64.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.951 0.405 . . . . 0.76 110.197 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -71.11 -33.81 70.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.129 0.49 . . . . 2.58 109.843 175.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -94.4 26.18 3.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.929 -0.578 . . . . 0.45 110.958 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 24.5 mmt 54.12 47.9 22.19 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.699 -0.682 . . . . 2.61 110.821 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 705' ' ' LYS . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 665' ' ' TYR . 25.8 mmtm -127.18 64.03 1.32 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.345 -0.843 . . . . 1.59 109.877 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -56.42 -39.8 84.49 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.565 -0.743 . . . . 0.47 113.513 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -55.25 -50.23 70.0 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.297 0.57 . . . . 3.9 110.201 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 708' ' ' LEU . . . . . 0.405 HD23 ' HB3' ' A' ' 705' ' ' LYS . 4.0 mm? -61.61 -45.33 94.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.388 -0.824 . . . . 1.02 110.266 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.84 83.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.781 -0.645 . . . . 0.21 111.126 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -62.81 -49.79 73.55 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.854 -0.425 . . . . 1.6 109.854 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -58.23 -55.45 34.77 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.021 -0.536 . . . . 1.83 111.532 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -60.2 -33.73 72.65 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.664 0.246 . . . . 0.44 111.664 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -70.25 -40.07 74.65 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.512 -0.475 . . . . 2.95 109.807 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -67.9 -25.92 65.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.453 0.644 . . . . 1.98 109.952 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -83.19 -29.01 28.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.059 -1.089 . . . . 1.67 108.059 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 716' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 693' ' ' TYR . . . -63.88 -47.43 80.7 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.384 -0.825 . . . . 0.25 110.103 170.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.61 -38.98 92.88 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.767 -0.651 . . . . 2.16 110.298 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -59.13 -44.34 92.04 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 110.088 -0.338 . . . . 2.2 110.088 172.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 719' ' ' ALA . . . . . 0.621 ' HA ' ' CZ ' ' A' ' 676' ' ' PHE . . . -57.02 -47.97 79.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.355 -0.384 . . . . 0.37 111.511 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 34.0 m0 . . . . . 0 C--N 1.327 -0.408 0 C-N-CA 120.769 -0.372 . . . . 0.47 111.914 -179.501 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 21.3 p90 . . . . . 0 C--O 1.222 -0.363 0 N-CA-C 111.987 0.366 . . . . 0.81 111.987 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 10.5 mmt -71.83 -38.53 70.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.864 0.364 . . . . 1.17 110.725 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 51.1 ttp -70.52 -42.72 70.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.421 0.629 . . . . 1.2 109.693 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 9.1 mp -66.57 -33.56 75.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.523 -0.762 . . . . 0.82 110.563 177.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.04 -32.59 59.41 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.238 -0.282 . . . . 0.23 110.238 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -62.04 -46.51 88.84 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.659 -0.497 . . . . 3.33 109.659 174.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -63.78 -44.66 92.72 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.304 -0.628 . . . . 1.89 109.304 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.481 ' HB2' ' HB3' ' A' ' 692' ' ' LEU . . . -53.73 -43.56 69.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.828 -0.623 . . . . 0.23 111.652 175.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.36 -38.06 77.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.85 0.357 . . . . 1.76 110.478 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.4 mtm -69.06 -27.07 65.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.79 110.35 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.85 -17.59 32.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.873 0.368 . . . . 0.53 110.346 175.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 676' ' ' PHE . . . . . 0.49 ' CE1' ' HE2' ' A' ' 715' ' ' LYS . 47.3 t80 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.458 -0.337 . . . . 0.82 111.573 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 C--O 1.234 0.272 0 N-CA-C 109.177 -0.675 . . . . 1.68 109.177 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -52.62 -30.6 46.1 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.205 2.604 . . . . 0.42 113.593 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 687' ' ' GLN . . . . . 0.403 ' HA ' ' HE1' ' A' ' 720' ' ' TRP . 20.5 tm0? -72.33 -52.52 15.79 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.788 -0.365 . . . . 2.21 110.04 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -62.02 -35.57 78.95 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.657 -0.497 . . . . 3.24 109.657 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 689' ' ' SER . . . . . 0.475 ' HG ' ' HD2' ' A' ' 676' ' ' PHE . 33.2 t -52.36 -56.72 13.01 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.42 -0.809 . . . . 1.11 110.41 175.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.55 -31.97 74.37 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.151 -1.023 . . . . 0.19 112.026 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.66 -51.94 67.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.01 0.433 . . . . 1.54 110.0 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 692' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 672' ' ' ALA . 4.5 mm? -67.68 -36.44 80.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.379 -0.373 . . . . 1.35 110.874 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 693' ' ' TYR . . . . . 0.479 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 8.3 m-85 -66.48 -38.23 86.83 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 120.926 -0.31 . . . . 1.33 111.191 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 14.0 p -71.93 -40.88 68.43 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.753 -0.379 . . . . 0.31 110.974 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.91 -40.78 95.6 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.289 -0.564 . . . . 2.13 110.03 174.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.62 90.13 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.18 110.665 175.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.12 -35.82 80.58 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.801 0.334 . . . . 0.2 110.702 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -59.25 -49.08 79.21 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.985 -0.552 . . . . 1.84 109.64 175.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -66.27 -29.69 69.96 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.897 -0.592 . . . . 0.21 111.088 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -71.89 -50.87 25.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.014 -0.539 . . . . 0.16 110.503 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 45.3 ttp -64.82 -30.6 71.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.76 110.143 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -63.53 -41.71 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.814 -0.63 . . . . 2.58 110.341 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -81.48 14.41 2.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.45 111.463 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 83.0 mtp 66.32 21.99 10.9 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.215 0.531 . . . . 2.61 111.209 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -101.52 57.73 0.85 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.208 -0.664 . . . . 1.59 109.208 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -54.93 -38.02 64.04 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.319 -0.855 . . . . 0.47 113.63 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -58.86 -49.76 76.53 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 117.07 0.435 . . . . 3.9 110.375 177.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.71 -46.21 91.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.574 -0.528 . . . . 1.02 109.574 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -54.45 -55.34 29.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.988 -1.006 . . . . 0.21 111.331 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -64.2 -35.9 82.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.396 -0.366 . . . . 1.6 110.87 -176.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -59.34 -52.2 66.64 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.682 -0.407 . . . . 1.83 110.524 173.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -64.56 -25.69 68.09 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.989 0.366 . . . . 0.44 111.989 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -70.04 -43.77 70.58 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.572 -0.529 . . . . 2.95 109.572 170.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -58.44 -31.33 67.66 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.705 -0.679 . . . . 1.98 110.077 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 715' ' ' LYS . . . . . 0.49 ' HE2' ' CE1' ' A' ' 676' ' ' PHE . 6.2 tmtp? -82.86 -36.02 25.78 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.087 -0.961 . . . . 1.67 108.983 -175.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.37 89.16 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.821 -0.627 . . . . 0.25 110.466 175.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.98 -43.07 79.79 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.058 -0.519 . . . . 2.16 109.892 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -63.36 -38.44 91.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.338 -0.392 . . . . 2.2 110.429 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.46 58.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.691 0.282 . . . . 0.37 111.087 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 720' ' ' TRP . . . . . 0.403 ' HE1' ' HA ' ' A' ' 687' ' ' GLN . 30.2 m0 . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 112.205 0.446 . . . . 0.47 112.205 -178.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 665' ' ' TYR . . . . . 0.641 ' CE2' ' HG3' ' A' ' 666' ' ' MET . 40.2 p90 . . . . . 0 C--O 1.225 -0.233 0 N-CA-C 111.73 0.27 . . . . 0.81 111.73 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.641 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 51.7 mtt -70.98 -28.69 64.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.649 0.262 . . . . 1.17 110.626 -179.168 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 59.6 ttp -69.9 -49.05 55.91 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.473 -0.566 . . . . 1.2 109.473 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.15 -33.6 75.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.299 -0.864 . . . . 0.82 110.636 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -78.01 -31.89 50.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.23 110.474 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -62.9 -43.67 98.18 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.223 0.535 . . . . 3.33 109.69 175.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -65.65 -44.43 86.35 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.761 -0.654 . . . . 1.89 109.642 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.43 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -57.77 -39.96 78.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.23 111.166 175.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.55 -42.69 98.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.859 -0.609 . . . . 1.76 110.334 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.8 mtm -67.59 -25.04 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.79 110.483 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.72 -18.91 33.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.483 -0.326 . . . . 0.53 110.635 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 C--N 1.325 -0.462 0 C-N-CA 121.179 -0.209 . . . . 0.82 111.229 -179.005 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.101 -0.333 . . . . 1.68 110.101 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.94 -31.96 65.7 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.971 2.447 . . . . 0.42 113.498 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -69.51 -54.6 13.42 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 120.747 0.308 . . . . 2.21 110.549 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -68.43 -32.47 72.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 3.24 109.854 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 23.3 t -55.18 -46.39 75.81 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.71 -0.677 . . . . 1.11 110.023 176.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.83 -31.48 67.26 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.416 -0.897 . . . . 0.19 112.1 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 695' ' ' GLN . 20.7 t70 -62.1 -45.95 91.22 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.392 -0.596 . . . . 1.54 109.392 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.92 -35.4 72.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.788 -0.642 . . . . 1.35 111.11 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 693' ' ' TYR . . . . . 0.43 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 8.9 m-85 -69.55 -34.04 73.65 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.948 -0.301 . . . . 1.33 111.364 177.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 11.5 p -73.59 -32.12 63.95 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.359 -0.536 . . . . 0.31 110.011 176.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 695' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 691' ' ' ASP . 85.4 mm-40 -64.64 -44.07 91.64 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.44 -0.578 . . . . 2.13 109.44 171.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.99 91.84 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.64 -0.709 . . . . 0.18 111.211 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.18 83.33 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.939 0.399 . . . . 0.2 110.491 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.22 -44.97 96.42 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.753 -0.658 . . . . 1.84 109.373 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -69.16 -29.75 67.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.993 -0.549 . . . . 0.21 110.914 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.18 -45.84 65.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.015 -0.539 . . . . 0.16 110.796 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -70.94 -26.37 63.16 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.759 -0.376 . . . . 0.76 110.382 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -73.49 -24.65 60.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.041 0.448 . . . . 2.58 110.893 174.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -94.28 11.5 30.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.087 -0.506 . . . . 0.45 110.252 174.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 53.57 42.11 31.97 Favored 'General case' 0 N--CA 1.46 0.073 0 CA-C-N 115.009 -0.996 . . . . 2.61 111.513 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? -108.45 80.97 1.4 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.527 -0.76 . . . . 1.59 109.019 174.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -54.68 -58.72 12.13 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.628 -0.715 . . . . 0.47 113.7 -175.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -52.98 -42.23 65.35 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.841 0.353 . . . . 3.9 111.382 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.64 -47.54 78.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.126 -0.488 . . . . 1.02 110.23 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.14 -44.07 83.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.962 -0.563 . . . . 0.21 110.585 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -61.75 -50.8 70.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.017 -0.538 . . . . 1.6 110.692 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -58.74 -52.64 64.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.547 -0.297 . . . . 1.83 111.521 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -59.43 -36.33 75.71 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.134 -0.227 . . . . 0.44 111.446 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -68.45 -39.28 81.51 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.999 0.428 . . . . 2.95 109.896 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -67.19 -26.36 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.973 -0.558 . . . . 1.98 110.554 176.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.57 -31.5 28.99 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.471 -0.937 . . . . 1.67 108.471 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.67 -49.16 74.28 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.458 -0.792 . . . . 0.25 110.001 173.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -64.59 -39.65 94.11 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.992 -0.549 . . . . 2.16 109.99 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.56 -45.62 88.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.755 0.312 . . . . 2.2 110.473 176.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.95 -48.39 78.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.002 -0.545 . . . . 0.37 110.886 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 42.2 m0 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.321 -0.399 . . . . 0.47 111.888 -178.61 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 665' ' ' TYR . . . . . 0.458 ' HB3' ' HB3' ' A' ' 699' ' ' ALA . 6.1 p90 . . . . . 0 N--CA 1.461 0.077 0 CA-C-O 120.519 0.2 . . . . 0.81 111.509 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 61.8 mtt -70.04 -42.17 73.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.954 0.406 . . . . 1.17 109.992 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 57.9 ttp -68.63 -43.82 75.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 1.2 110.118 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.47 -35.8 81.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.548 -0.751 . . . . 0.82 110.832 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.3 -33.87 59.06 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.956 -0.387 . . . . 0.23 109.956 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -62.2 -45.52 93.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.751 -0.659 . . . . 3.33 109.617 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 671' ' ' GLU . . . . . 0.413 ' O ' HD23 ' A' ' 675' ' ' LEU . 29.7 tt0 -66.03 -43.84 86.41 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.952 -0.567 . . . . 1.89 109.582 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.402 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -56.33 -41.55 76.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.23 111.115 175.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -64.78 -40.32 95.06 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.827 -0.624 . . . . 1.76 110.354 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.5 mtm -70.17 -25.85 63.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.79 110.72 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 671' ' ' GLU . 3.9 mm? -84.38 -18.58 35.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.942 0.401 . . . . 0.53 110.395 177.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 37.0 t80 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.173 -0.467 . . . . 0.82 111.13 178.592 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 109.922 -0.399 . . . . 1.68 109.922 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.28 -38.96 73.25 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.221 2.614 . . . . 0.42 113.501 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -72.86 -43.29 62.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.847 0.356 . . . . 2.21 110.178 -176.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 688' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 688' ' ' ARG . 0.0 OUTLIER -70.03 -40.91 74.89 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.966 -0.753 . . . . 3.24 108.966 -178.402 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 23.1 t -56.25 -54.08 49.56 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.371 -0.831 . . . . 1.11 110.657 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.68 -32.8 79.06 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.243 -0.98 . . . . 0.19 112.237 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 32.8 t70 -64.0 -43.43 95.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.05 0.452 . . . . 1.54 109.839 177.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 33.9 mt -68.88 -37.58 79.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.34 -0.391 . . . . 1.35 110.906 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 693' ' ' TYR . . . . . 0.402 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 9.0 m-85 -66.46 -36.97 84.09 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.931 -0.308 . . . . 1.33 110.94 177.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 12.3 p -73.0 -37.38 67.01 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.752 -0.379 . . . . 0.31 110.601 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 695' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 86.4 mt-30 -65.16 -39.92 93.62 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.253 0.549 . . . . 2.13 109.673 173.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.59 92.65 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.761 -0.654 . . . . 0.18 110.556 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.78 84.45 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.2 110.534 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 698' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 701' ' ' MET . 28.1 tt0 -57.24 -51.95 67.27 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.32 0.581 . . . . 1.84 109.548 173.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 699' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 665' ' ' TYR . . . -61.6 -31.77 71.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.789 -0.641 . . . . 0.21 111.179 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -71.07 -48.82 50.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.081 -0.509 . . . . 0.16 110.554 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 701' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 698' ' ' GLU . 22.2 ptp -65.25 -31.33 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.76 110.611 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -76.78 -16.4 59.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.002 0.429 . . . . 2.58 111.254 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -103.09 13.99 32.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.233 -0.439 . . . . 0.45 111.256 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 22.6 mmt 64.58 34.82 9.65 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.344 0.592 . . . . 2.61 111.489 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -113.98 72.17 0.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.774 -0.648 . . . . 1.59 110.09 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -53.73 -48.34 61.82 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.59 -0.732 . . . . 0.47 113.472 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -60.85 -39.93 90.93 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 117.557 0.678 . . . . 3.9 110.999 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.29 -46.36 89.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.967 -0.382 . . . . 1.02 109.967 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.91 90.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.76 -0.655 . . . . 0.21 110.572 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -61.44 -49.93 74.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.51 -0.768 . . . . 1.6 110.276 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.38 -52.72 64.4 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.903 -0.59 . . . . 1.83 111.311 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -58.2 -34.8 70.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.969 0.359 . . . . 0.44 111.969 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 713' ' ' TYR . . . . . 0.414 ' O ' ' HG3' ' A' ' 717' ' ' GLU . 12.5 m-85 -67.83 -42.03 82.08 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 120.165 -0.614 . . . . 2.95 110.336 173.114 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -63.54 -29.78 70.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.378 0.609 . . . . 1.98 110.571 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -83.45 -33.78 25.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.545 -0.752 . . . . 1.67 109.132 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.53 83.53 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.075 0.464 . . . . 0.25 110.039 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 717' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 713' ' ' TYR . 40.5 mt-10 -59.94 -46.62 88.8 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.769 -0.65 . . . . 2.16 110.443 176.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -58.42 -44.19 88.98 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.282 -0.417 . . . . 2.2 110.406 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -53.03 -53.93 42.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.37 111.096 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 20.4 m0 . . . . . 0 C--N 1.328 -0.354 0 N-CA-C 112.028 0.381 . . . . 0.47 112.028 -178.231 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 36.3 p90 . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.645 0.26 . . . . 0.81 111.194 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 55.5 mtt -73.28 -30.96 63.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.582 -0.281 . . . . 1.17 110.388 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -72.89 -45.34 58.74 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.609 -0.886 . . . . 1.2 108.609 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 668' ' ' LEU . . . . . 0.419 HD23 ' HG3' ' A' ' 695' ' ' GLN . 9.6 mp -60.33 -37.6 81.13 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.618 -0.719 . . . . 0.82 110.374 176.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.09 -33.69 57.0 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.23 110.589 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -64.4 -39.36 93.7 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.232 -0.655 . . . . 3.33 109.232 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 671' ' ' GLU . . . . . 0.415 ' O ' HD23 ' A' ' 675' ' ' LEU . 20.3 tp10 -63.67 -49.4 73.3 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.309 -0.86 . . . . 1.89 108.839 177.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.51 73.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.411 -0.813 . . . . 0.23 111.144 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.94 -39.57 90.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.527 . . . . 1.76 110.307 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 66.4 mtm -74.81 -18.13 60.51 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.31 -0.405 . . . . 0.79 110.615 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 675' ' ' LEU . . . . . 0.435 HD11 ' HD2' ' A' ' 688' ' ' ARG . 3.6 mm? -85.07 -28.51 25.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.751 0.31 . . . . 0.53 110.591 175.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 116.48 -0.327 . . . . 0.82 111.031 -179.486 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 110.215 -0.291 . . . . 1.68 110.215 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -52.2 -32.89 52.11 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 123.344 2.696 . . . . 0.42 113.712 -178.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.91 -51.79 36.2 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 109.21 -0.663 . . . . 2.21 109.21 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 688' ' ' ARG . . . . . 0.435 ' HD2' HD11 ' A' ' 675' ' ' LEU . 15.3 ttm180 -66.75 -36.88 83.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.604 -0.725 . . . . 3.24 109.636 -177.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 20.7 m -54.56 -52.28 62.58 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.522 -0.763 . . . . 1.11 110.492 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.85 -34.85 83.67 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.308 -0.948 . . . . 0.19 112.141 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.36 -44.32 96.75 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.29 0.567 . . . . 1.54 109.831 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 55.5 mt -73.93 -36.37 64.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.89 -0.595 . . . . 1.35 111.137 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -65.95 -37.85 87.08 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.934 -0.306 . . . . 1.33 110.812 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 18.2 p -73.74 -35.66 65.06 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.731 -0.388 . . . . 0.31 110.287 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 695' ' ' GLN . . . . . 0.419 ' HG3' HD23 ' A' ' 668' ' ' LEU . 62.4 tp60 -66.5 -39.35 88.67 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.259 -0.645 . . . . 2.13 109.259 175.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.77 95.71 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.88 -0.6 . . . . 0.18 110.825 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.95 79.12 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.941 0.401 . . . . 0.2 109.957 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.85 -45.09 94.19 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.799 -0.637 . . . . 1.84 109.632 175.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -68.25 -28.32 67.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.21 110.777 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.79 -47.73 36.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.16 110.635 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -69.96 -29.89 67.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.76 110.242 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -69.28 -31.0 69.22 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.602 -0.518 . . . . 2.58 109.602 175.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -83.58 9.14 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.885 -0.598 . . . . 0.45 111.091 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 62.3 mtt 67.78 31.26 5.95 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.133 -0.485 . . . . 2.61 110.988 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -119.62 78.12 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.424 0.63 . . . . 1.59 110.823 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -62.29 -33.06 84.89 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.067 -0.97 . . . . 0.47 114.01 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -62.47 -49.07 76.86 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 117.537 0.669 . . . . 3.9 109.959 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.98 -45.62 91.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.449 -0.796 . . . . 1.02 110.259 177.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.64 -41.04 80.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.715 -0.675 . . . . 0.21 110.984 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -62.26 -51.97 65.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 1.6 110.205 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -55.89 -56.07 25.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 1.83 110.88 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -61.87 -35.62 78.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.351 0.501 . . . . 0.44 112.351 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -69.69 -40.72 76.18 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 119.461 -0.896 . . . . 2.95 109.724 176.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -64.2 -25.93 68.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.54 0.686 . . . . 1.98 109.86 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -81.47 -35.09 30.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.167 -0.924 . . . . 1.67 108.646 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.28 80.52 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.501 -0.772 . . . . 0.25 110.432 174.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -66.02 -43.87 86.39 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.34 -0.846 . . . . 2.16 108.724 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -64.6 -36.73 85.18 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.141 -0.481 . . . . 2.2 111.366 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.91 -51.3 68.08 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.844 0.355 . . . . 0.37 110.764 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 27.3 m0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.47 111.79 -179.829 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 665' ' ' TYR . . . . . 0.589 ' CE2' ' HG3' ' A' ' 666' ' ' MET . 32.5 p90 . . . . . 0 C--O 1.227 -0.115 0 N-CA-C 112.152 0.427 . . . . 0.81 112.152 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 666' ' ' MET . . . . . 0.589 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 48.8 mtt -70.75 -39.51 73.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.585 0.231 . . . . 1.17 111.133 -177.052 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -69.78 -42.77 73.37 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 109.079 -0.712 . . . . 1.2 109.079 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 8.9 mp -63.57 -36.2 83.01 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.579 -0.737 . . . . 0.82 110.709 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.14 -30.9 55.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.902 0.382 . . . . 0.23 110.159 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -62.73 -46.39 88.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.029 -0.532 . . . . 3.33 110.189 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.48 -41.5 93.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.707 -0.479 . . . . 1.89 109.707 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.67 -40.97 76.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.063 0.458 . . . . 0.23 110.941 175.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.73 -44.11 94.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.894 -0.594 . . . . 1.76 110.4 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.8 mtm -67.91 -29.74 68.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.871 -0.604 . . . . 0.79 111.09 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.23 -31.11 30.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.685 0.278 . . . . 0.53 111.128 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 61.8 t80 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.406 -0.361 . . . . 0.82 110.636 -178.568 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.492 0.187 . . . . 1.68 110.514 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 686' ' ' PRO . . . . . 0.4 ' HB3' ' O ' ' A' ' 719' ' ' ALA . 54.3 Cg_exo -55.53 -28.02 62.56 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.945 2.43 . . . . 0.42 113.3 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -67.78 -54.62 17.75 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 120.722 0.296 . . . . 2.21 110.701 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -67.74 -32.79 73.65 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.729 -0.471 . . . . 3.24 109.729 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 28.8 m -56.32 -49.05 75.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.949 -0.568 . . . . 1.11 110.739 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.72 -32.74 70.71 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 120.25 -0.976 . . . . 0.19 112.256 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 35.4 t70 -64.43 -41.56 96.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.272 0.558 . . . . 1.54 109.689 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 42.3 mt -71.48 -36.88 71.29 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.879 -0.601 . . . . 1.35 111.041 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -70.98 -32.76 69.7 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.947 -0.301 . . . . 1.33 111.545 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 7.3 p -72.47 -37.41 68.48 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.579 -0.448 . . . . 0.31 109.975 176.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 695' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 95.1 mt-30 -64.18 -41.54 97.06 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.324 -0.621 . . . . 2.13 109.324 173.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.84 94.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.798 -0.637 . . . . 0.18 111.278 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.38 90.78 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.2 110.348 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 698' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 701' ' ' MET . 19.3 tt0 -59.76 -45.96 90.63 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.758 -0.655 . . . . 1.84 109.522 175.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -69.87 -27.42 64.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.768 -0.651 . . . . 0.21 110.922 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.61 -46.98 51.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.176 -0.465 . . . . 0.16 110.891 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 701' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 698' ' ' GLU . 25.1 ptt? -67.46 -27.02 66.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.647 -0.501 . . . . 0.76 109.647 177.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -72.49 -31.04 65.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.183 -0.917 . . . . 2.58 110.525 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -95.26 17.69 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.466 -0.788 . . . . 0.45 111.371 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 49.2 mtt 64.27 29.78 13.65 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.035 -0.53 . . . . 2.61 111.315 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -114.47 85.65 2.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.788 0.327 . . . . 1.59 110.846 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -57.75 -54.35 38.07 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.936 -0.574 . . . . 0.47 113.76 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -62.03 -36.16 80.75 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 117.066 0.433 . . . . 3.9 111.214 -176.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.6 -43.72 96.1 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.788 -0.449 . . . . 1.02 109.788 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.72 90.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.584 -0.734 . . . . 0.21 110.339 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -61.4 -50.71 71.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.219 -0.446 . . . . 1.6 110.474 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -55.76 -56.2 23.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.132 -0.485 . . . . 1.83 111.083 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -62.14 -32.2 72.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.248 -0.433 . . . . 0.44 111.785 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -70.68 -39.19 73.68 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.383 -0.599 . . . . 2.95 109.383 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -64.53 -28.22 69.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.29 -0.868 . . . . 1.98 110.22 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -87.88 -25.3 23.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.651 -0.704 . . . . 1.67 109.266 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.35 -46.94 71.9 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.907 -0.588 . . . . 0.25 109.679 173.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -61.69 -44.98 95.89 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.829 -0.623 . . . . 2.16 109.901 175.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -54.76 -48.19 72.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.977 -0.556 . . . . 2.2 110.69 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 719' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 686' ' ' PRO . . . -60.57 -44.88 95.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.575 -0.739 . . . . 0.37 111.767 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 32.8 m0 . . . . . 0 C--N 1.324 -0.52 0 C-N-CA 120.277 -0.569 . . . . 0.47 111.505 -179.205 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 665' ' ' TYR . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 705' ' ' LYS . 25.0 p90 . . . . . 0 C--O 1.222 -0.389 0 N-CA-C 111.559 0.207 . . . . 0.81 111.559 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 67.4 mtt -71.22 -41.74 69.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.028 0.442 . . . . 1.17 110.253 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 44.9 ttp -69.25 -45.12 70.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.732 -0.667 . . . . 1.2 109.701 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.87 -34.2 77.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.595 -0.73 . . . . 0.82 110.803 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.98 -31.61 56.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.87 0.367 . . . . 0.23 110.13 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -65.59 -42.34 91.81 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.558 -0.534 . . . . 3.33 109.558 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -66.22 -44.41 83.89 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.153 -0.684 . . . . 1.89 109.153 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 692' ' ' LEU . . . -55.21 -41.7 72.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.873 -0.603 . . . . 0.23 111.406 174.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -64.87 -38.19 90.13 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.697 0.284 . . . . 1.76 110.691 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.4 mtm -73.23 -21.07 60.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.512 -0.313 . . . . 0.79 110.838 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.94 -26.91 23.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.69 0.281 . . . . 0.53 110.8 174.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 35.3 t80 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.567 -0.288 . . . . 0.82 111.445 -177.968 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 685' ' ' ASP . . . . . 0.501 ' OD2' ' HB3' ' A' ' 687' ' ' GLN . 22.3 t70 . . . . . 0 C--O 1.233 0.227 0 N-CA-C 110.036 -0.357 . . . . 1.68 110.036 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.44 -29.65 49.86 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.338 2.692 . . . . 0.42 113.811 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 687' ' ' GLN . . . . . 0.501 ' HB3' ' OD2' ' A' ' 685' ' ' ASP . 27.7 tp60 -66.01 -52.37 49.86 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.649 -0.5 . . . . 2.21 109.649 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -67.02 -35.3 79.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.744 -0.662 . . . . 3.24 109.557 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 17.9 m -55.06 -55.16 34.07 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.683 -0.69 . . . . 1.11 110.659 176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.5 -32.65 71.55 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.139 -1.029 . . . . 0.19 111.858 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 32.3 t70 -62.22 -45.77 91.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.381 0.61 . . . . 1.54 109.723 178.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 692' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 672' ' ' ALA . 0.3 OUTLIER -74.34 -34.68 63.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 1.35 111.045 179.628 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 693' ' ' TYR . . . . . 0.413 ' CE2' ' HD2' ' A' ' 715' ' ' LYS . 7.5 m-85 -65.71 -37.77 87.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.664 0.269 . . . . 1.33 111.108 177.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 15.5 p -72.05 -34.8 69.03 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.625 -0.43 . . . . 0.31 110.171 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 695' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 79.9 mt-30 -64.88 -44.37 89.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.881 -0.414 . . . . 2.13 109.881 172.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.91 93.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.18 111.039 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -70.12 -35.53 74.16 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.2 110.526 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -60.6 -45.86 92.41 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.33 -0.618 . . . . 1.84 109.33 174.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -69.16 -26.21 64.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.989 -0.551 . . . . 0.21 110.964 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.03 -50.18 43.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.259 -0.428 . . . . 0.16 110.391 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -69.68 -25.31 63.82 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.704 -0.48 . . . . 0.76 109.704 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -67.56 -39.95 84.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.66 -0.7 . . . . 2.58 109.634 174.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.26 22.35 2.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.276 -0.875 . . . . 0.45 111.919 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 95.0 mmm 65.87 20.44 11.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.098 0.475 . . . . 2.61 111.909 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 705' ' ' LYS . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 665' ' ' TYR . 74.5 mmtt -107.86 65.1 0.63 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.078 -0.51 . . . . 1.59 109.734 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -57.39 -36.23 75.62 Favored Glycine 0 CA--C 1.517 0.183 0 CA-C-N 115.688 -0.687 . . . . 0.47 113.199 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -63.6 -45.01 92.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.937 0.398 . . . . 3.9 110.451 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.85 -42.68 98.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.96 -0.564 . . . . 1.02 109.883 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -56.87 -54.13 50.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.34 -0.846 . . . . 0.21 110.73 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -54.45 -48.64 71.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.264 -0.425 . . . . 1.6 110.728 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -57.56 -54.5 46.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.529 -0.305 . . . . 1.83 111.615 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -63.0 -27.01 69.13 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.316 0.487 . . . . 0.44 112.316 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -71.42 -40.79 70.21 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.397 -0.521 . . . . 2.95 109.997 172.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -64.69 -24.85 67.7 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.721 0.772 . . . . 1.98 109.629 175.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 715' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 715' ' ' LYS . 4.7 tmtp? -83.15 -37.23 23.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.293 -0.867 . . . . 1.67 108.823 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.42 98.88 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.834 -0.621 . . . . 0.25 110.076 173.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.56 -48.62 80.28 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.99 -0.55 . . . . 2.16 109.876 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -53.71 -46.54 70.79 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.169 -0.469 . . . . 2.2 110.725 176.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.27 -54.85 38.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.901 -0.591 . . . . 0.37 111.413 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 16.3 m0 . . . . . 0 C--N 1.328 -0.365 0 N-CA-C 112.044 0.387 . . . . 0.47 112.044 -178.403 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 1.8 p90 . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.504 0.192 . . . . 0.81 111.406 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 19.4 mmt -73.23 -38.88 65.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.649 0.262 . . . . 1.17 110.308 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 59.2 ttp -72.18 -43.35 64.67 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.546 -0.539 . . . . 1.2 109.546 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.55 -39.1 89.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.545 -0.752 . . . . 0.82 110.549 177.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.88 -32.92 57.81 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.739 0.304 . . . . 0.23 110.484 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -61.84 -47.15 86.36 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.7 -0.481 . . . . 3.33 109.7 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.19 -43.74 90.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.304 -0.628 . . . . 1.89 109.304 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.44 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -54.56 -41.89 70.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.895 -0.593 . . . . 0.23 111.358 175.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.52 -41.0 89.45 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.428 -0.351 . . . . 1.76 110.401 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 70.4 mtm -68.43 -26.75 65.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.79 110.496 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.39 -23.17 26.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 0.53 110.671 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 25.5 t80 . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.242 -0.436 . . . . 0.82 110.703 179.024 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.265 -0.643 . . . . 1.68 109.265 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -51.58 -33.22 47.41 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.17 2.58 . . . . 0.42 113.636 -177.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -69.08 -54.0 17.36 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.633 0.254 . . . . 2.21 110.389 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -67.08 -34.6 78.01 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.272 -0.64 . . . . 3.24 109.272 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 34.5 t -53.12 -55.16 26.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.717 -0.674 . . . . 1.11 110.528 175.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -66.89 -32.92 82.43 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.228 -0.987 . . . . 0.19 112.085 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.65 -44.59 93.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.145 0.498 . . . . 1.54 109.788 178.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 40.6 mt -70.25 -37.66 74.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.054 -0.521 . . . . 1.35 110.601 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 693' ' ' TYR . . . . . 0.44 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 7.8 m-85 -66.82 -38.91 87.36 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.19 -0.204 . . . . 1.33 111.129 177.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 19.6 p -73.58 -34.36 65.08 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.738 -0.385 . . . . 0.31 110.63 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 -69.79 -39.51 76.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.938 -0.393 . . . . 2.13 109.938 174.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.95 97.85 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.228 -0.442 . . . . 0.18 110.482 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.78 74.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.849 0.356 . . . . 0.2 110.387 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -60.38 -49.26 78.28 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.862 -0.608 . . . . 1.84 109.709 174.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -66.88 -26.68 67.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.909 -0.587 . . . . 0.21 110.962 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.37 -49.69 25.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.982 -0.554 . . . . 0.16 110.707 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -67.35 -30.84 70.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.978 0.418 . . . . 0.76 110.165 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -68.42 -28.08 66.76 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.168 0.508 . . . . 2.58 109.969 176.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -95.12 17.65 13.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.715 -0.675 . . . . 0.45 111.091 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 26.3 mmt 59.11 41.52 20.41 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.992 -0.549 . . . . 2.61 111.364 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -114.43 84.17 2.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.969 -0.559 . . . . 1.59 110.156 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -53.96 -58.43 12.67 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.946 -0.57 . . . . 0.47 114.079 -178.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 707' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 707' ' ' ARG . 22.8 ttt180 -57.76 -40.47 79.84 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.997 0.399 . . . . 3.9 111.329 -176.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.74 -51.84 65.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.425 -0.352 . . . . 1.02 110.244 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -59.27 -46.66 87.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.751 -0.659 . . . . 0.21 111.055 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -59.3 -49.83 76.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 1.6 110.385 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -56.05 -56.51 19.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.539 . . . . 1.83 111.531 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -61.9 -32.93 73.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.31 -0.405 . . . . 0.44 111.859 -178.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -69.07 -40.05 78.7 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.359 -0.537 . . . . 2.95 109.95 173.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -58.79 -37.16 75.71 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.529 0.681 . . . . 1.98 110.299 176.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.35 -27.16 27.91 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 109.061 -0.718 . . . . 1.67 109.061 -175.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.58 94.54 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 109.688 -0.486 . . . . 0.25 109.688 172.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -63.55 -48.49 77.28 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.755 -0.657 . . . . 2.16 109.756 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -59.33 -37.94 79.07 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.593 -0.276 . . . . 2.2 111.058 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -58.43 -54.01 51.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.634 0.254 . . . . 0.37 110.941 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 24.0 m0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.339 -0.391 . . . . 0.47 111.937 -178.536 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 665' ' ' TYR . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 705' ' ' LYS . 9.3 p90 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 111.711 0.263 . . . . 0.81 111.711 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 14.7 mmt -71.35 -38.84 71.6 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.612 -0.435 . . . . 1.17 110.512 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 48.4 ttp -64.89 -49.45 70.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.2 0.524 . . . . 1.2 109.715 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.57 -32.2 73.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.426 -0.806 . . . . 0.82 110.946 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.43 -36.19 58.12 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.871 -0.332 . . . . 0.23 110.371 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -64.12 -42.6 96.8 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.554 -0.535 . . . . 3.33 109.554 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -62.53 -46.6 87.65 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.103 -0.703 . . . . 1.89 109.103 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -59.44 -41.39 89.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.794 -0.639 . . . . 0.23 111.187 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.43 -42.11 99.2 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.19 -0.459 . . . . 1.76 110.183 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 68.9 mtm -67.89 -37.1 81.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.79 110.643 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.34 -30.06 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.711 0.291 . . . . 0.53 111.164 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 676' ' ' PHE . . . . . 0.471 ' CE2' ' HA ' ' A' ' 719' ' ' ALA . 32.4 t80 . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 111.948 0.351 . . . . 0.82 111.948 -176.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 109.696 -0.483 . . . . 1.68 109.696 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.97 -31.61 64.35 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.885 2.39 . . . . 0.42 113.33 -176.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 687' ' ' GLN . . . . . 0.46 ' HA ' ' HE1' ' A' ' 720' ' ' TRP . 57.7 tp60 -69.92 -53.22 18.87 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.617 0.246 . . . . 2.21 110.366 -177.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -65.93 -32.23 73.61 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.503 -0.555 . . . . 3.24 109.503 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 40.6 m -54.59 -53.9 48.53 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.043 -0.526 . . . . 1.11 110.46 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.09 -31.79 72.43 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.267 -0.968 . . . . 0.19 111.92 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 691' ' ' ASP . . . . . 0.532 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 37.7 t70 -62.02 -46.04 90.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.25 0.548 . . . . 1.54 109.8 176.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 48.6 mt -71.12 -35.6 71.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.931 -0.577 . . . . 1.35 111.022 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -64.08 -39.63 94.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 1.33 110.668 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 11.8 p -74.38 -34.02 63.22 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.831 -0.348 . . . . 0.31 110.667 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 695' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 77.7 mt-30 -63.79 -44.96 91.81 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.168 -0.678 . . . . 2.13 109.168 172.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.88 95.16 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.429 -0.805 . . . . 0.18 110.952 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.51 79.83 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.792 0.329 . . . . 0.2 110.639 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.11 -48.03 83.53 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.385 -0.598 . . . . 1.84 109.385 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -65.3 -27.96 68.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.054 -0.521 . . . . 0.21 111.027 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.46 -50.72 35.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.09 -0.504 . . . . 0.16 110.548 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -68.37 -26.98 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.934 0.397 . . . . 0.76 110.032 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -68.57 -37.96 80.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.815 -0.629 . . . . 2.58 109.96 174.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.18 18.54 4.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.81 -0.632 . . . . 0.45 111.711 -177.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 62.0 mtm 66.1 28.58 10.23 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.283 -0.417 . . . . 2.61 111.398 177.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 705' ' ' LYS . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 665' ' ' TYR . 73.9 mmtt -113.33 72.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.98 0.419 . . . . 1.59 110.032 -178.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -60.75 -39.27 96.47 Favored Glycine 0 CA--C 1.518 0.257 0 CA-C-N 115.993 -0.549 . . . . 0.47 113.953 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -63.69 -42.93 97.94 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.052 0.453 . . . . 3.9 110.183 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.45 -43.76 98.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.752 -0.658 . . . . 1.02 109.629 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.69 -56.48 21.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.721 -0.672 . . . . 0.21 110.804 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -52.96 -48.65 67.22 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.308 -0.405 . . . . 1.6 110.656 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -54.82 -58.26 8.28 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.012 -0.54 . . . . 1.83 111.084 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -62.97 -28.88 70.39 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.777 0.658 . . . . 0.44 112.777 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -68.39 -47.46 67.29 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.451 -0.5 . . . . 2.95 109.753 173.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -66.1 -23.74 66.56 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.703 -0.68 . . . . 1.98 109.979 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -81.26 -34.74 31.88 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.515 -0.92 . . . . 1.67 108.515 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.17 91.68 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.451 -0.795 . . . . 0.25 110.053 171.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -59.66 -44.29 93.62 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.734 -0.666 . . . . 2.16 110.131 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -54.25 -48.95 70.6 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.117 -0.492 . . . . 2.2 110.319 175.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 719' ' ' ALA . . . . . 0.471 ' HA ' ' CE2' ' A' ' 676' ' ' PHE . . . -55.82 -53.21 59.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.435 -0.348 . . . . 0.37 111.765 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 720' ' ' TRP . . . . . 0.46 ' HE1' ' HA ' ' A' ' 687' ' ' GLN . 24.2 m0 . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 112.425 0.528 . . . . 0.47 112.425 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 14.4 p90 . . . . . 0 CA--C 1.531 0.215 0 CA-C-O 120.664 0.269 . . . . 0.81 111.659 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 64.1 mtt -75.19 -36.67 61.43 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.039 -0.264 . . . . 1.17 110.711 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 56.2 ttp -69.29 -45.42 69.63 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.431 -0.581 . . . . 1.2 109.431 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.8 -38.47 88.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.28 -0.873 . . . . 0.82 110.802 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.46 -32.62 54.55 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 121.012 -0.275 . . . . 0.23 110.417 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -64.03 -43.95 94.01 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.805 -0.443 . . . . 3.33 109.805 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.06 -47.13 86.07 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.125 -0.694 . . . . 1.89 109.125 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.86 -39.8 82.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.635 -0.711 . . . . 0.23 111.39 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -65.33 -45.17 85.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 1.76 110.306 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 72.0 mtm -67.07 -27.63 67.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.817 -0.629 . . . . 0.79 110.407 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 61.6 mt -87.22 -9.49 54.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.478 -0.328 . . . . 0.53 111.432 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 676' ' ' PHE . . . . . 0.466 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 63.5 t80 . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 120.906 0.384 . . . . 0.82 111.331 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.833 -0.432 . . . . 1.68 109.833 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -53.21 -28.51 42.47 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.948 2.432 . . . . 0.42 113.343 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -69.29 -54.88 12.4 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.654 0.264 . . . . 2.21 110.434 -177.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -68.95 -32.44 72.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 3.24 110.024 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 689' ' ' SER . . . . . 0.466 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 27.3 t -54.41 -50.16 68.24 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.746 -0.661 . . . . 1.11 110.249 177.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.71 -33.75 81.39 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.364 -0.922 . . . . 0.19 112.058 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -62.5 -44.82 95.44 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.191 0.52 . . . . 1.54 110.387 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 28.8 mt -72.93 -30.51 63.95 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.582 -0.447 . . . . 1.35 111.23 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -67.71 -37.2 81.92 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.752 -0.379 . . . . 1.33 110.919 174.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 18.0 p -71.3 -40.85 70.57 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.807 -0.357 . . . . 0.31 110.387 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -38.42 91.04 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.302 -0.629 . . . . 2.13 109.302 176.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -63.63 -37.69 88.29 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.534 -0.757 . . . . 0.18 111.078 175.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.43 88.31 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.645 0.259 . . . . 0.2 110.725 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -45.14 91.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 1.84 110.005 175.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -70.58 -30.57 67.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.21 111.04 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -69.74 -48.38 59.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.16 110.704 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -67.88 -28.78 67.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.76 110.113 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.31 -26.29 61.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.328 0.585 . . . . 2.58 109.847 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.74 14.97 10.5 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.748 -0.66 . . . . 0.45 110.622 175.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 75.2 mtp 60.7 35.26 19.77 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.438 -0.801 . . . . 2.61 111.253 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -120.03 80.64 1.62 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.863 -0.608 . . . . 1.59 110.834 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -59.12 -37.9 92.33 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.006 -0.997 . . . . 0.47 113.323 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 707' ' ' ARG . . . . . 0.467 ' O ' ' HG3' ' A' ' 711' ' ' GLN . 50.0 ttp180 -57.6 -49.68 75.63 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 117.19 0.495 . . . . 3.9 110.143 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.08 -47.05 87.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.841 -0.618 . . . . 1.02 110.329 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -59.7 -43.04 94.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.705 -0.68 . . . . 0.21 111.0 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -61.66 -50.31 73.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.6 109.749 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 711' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 707' ' ' ARG . 95.3 mt-30 -57.77 -53.55 56.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.531 . . . . 1.83 110.81 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -60.74 -35.68 76.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.484 . . . . 0.44 112.03 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -66.19 -42.04 89.41 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.257 0.551 . . . . 2.95 109.995 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -66.51 -28.46 68.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.094 -0.957 . . . . 1.98 110.201 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -87.46 -34.88 18.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.618 -0.719 . . . . 1.67 109.393 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.24 91.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.375 0.607 . . . . 0.25 109.951 175.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -68.31 -40.62 81.64 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.265 -0.88 . . . . 2.16 109.142 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -62.47 -41.27 98.66 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.749 -0.659 . . . . 2.2 110.626 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.7 -50.59 72.69 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.017 -0.538 . . . . 0.37 110.913 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 35.4 m0 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.47 111.371 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 2.9 p90 . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 111.84 0.311 . . . . 0.81 111.84 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 62.1 mtt -69.56 -42.14 74.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.723 0.296 . . . . 1.17 110.758 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 58.5 ttp -69.59 -42.35 74.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.015 0.436 . . . . 1.2 109.983 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.94 -33.47 76.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.82 110.967 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -78.02 -34.65 50.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 0.23 110.066 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -59.39 -46.62 88.17 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.364 -0.606 . . . . 3.33 109.364 173.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.54 -48.01 81.38 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.436 -0.802 . . . . 1.89 109.2 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -58.23 -39.71 79.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.659 -0.701 . . . . 0.23 111.779 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.29 -39.2 82.16 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 110.042 -0.355 . . . . 1.76 110.042 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 66.0 mtm -68.02 -29.53 68.55 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.409 -0.36 . . . . 0.79 110.283 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.18 -26.75 39.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.737 0.303 . . . . 0.53 110.899 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 676' ' ' PHE . . . . . 0.539 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 28.6 t80 . . . . . 0 C--N 1.324 -0.526 0 C-N-CA 120.901 -0.32 . . . . 0.82 111.059 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.676 -0.49 . . . . 1.68 109.676 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.37 -32.45 42.15 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.95 2.433 . . . . 0.42 113.338 -179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -67.04 -55.09 15.87 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 120.698 0.285 . . . . 2.21 110.523 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -69.1 -32.4 71.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.673 -0.492 . . . . 3.24 109.673 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 689' ' ' SER . . . . . 0.539 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 32.3 t -55.52 -51.59 66.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.919 -0.582 . . . . 1.11 110.425 176.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.86 -30.59 67.96 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 120.272 -0.966 . . . . 0.19 111.668 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.61 -42.49 95.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.292 0.567 . . . . 1.54 109.82 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 65.1 mt -70.48 -35.44 73.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.076 -0.511 . . . . 1.35 110.682 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 693' ' ' TYR . . . . . 0.418 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 9.6 m-85 -66.82 -36.89 83.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.751 -0.204 . . . . 1.33 111.018 176.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 11.8 p -72.54 -36.34 68.26 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.667 -0.413 . . . . 0.31 110.326 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -63.39 -42.63 98.8 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.398 -0.593 . . . . 2.13 109.398 172.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.25 91.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.638 -0.71 . . . . 0.18 110.899 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.13 -37.01 84.65 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 110.393 -0.225 . . . . 0.2 110.393 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.76 -50.85 72.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 1.84 109.927 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -65.49 -28.33 69.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.21 111.175 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.26 -50.46 27.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.195 -0.457 . . . . 0.16 110.815 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -66.89 -29.24 69.08 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.116 -0.328 . . . . 0.76 110.116 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -64.29 -39.04 93.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.968 -0.56 . . . . 2.58 110.299 174.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.61 21.53 3.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.559 -0.746 . . . . 0.45 111.287 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 21.7 mmt 60.21 31.79 20.62 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.301 0.572 . . . . 2.61 111.198 176.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -106.05 71.24 0.88 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.931 -0.577 . . . . 1.59 109.876 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -51.11 -51.68 34.53 Favored Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.496 -0.775 . . . . 0.47 113.679 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -60.72 -41.94 96.28 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 117.031 0.415 . . . . 3.9 110.987 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.22 -48.19 81.1 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.843 -0.429 . . . . 1.02 109.843 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.32 -51.07 70.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.21 110.808 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -52.99 -52.71 57.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.867 -0.606 . . . . 1.6 110.944 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -59.14 -55.61 32.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.098 -0.501 . . . . 1.83 111.513 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -57.6 -34.81 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.706 0.262 . . . . 0.44 111.706 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -72.42 -42.33 65.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 119.989 -0.685 . . . . 2.95 110.117 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -64.26 -25.43 68.05 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.481 0.658 . . . . 1.98 110.007 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -83.19 -34.56 25.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.437 -0.802 . . . . 1.67 108.945 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -61.2 -48.54 81.07 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.89 -0.595 . . . . 0.25 109.782 171.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.47 -43.76 96.59 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.264 -0.88 . . . . 2.16 110.818 177.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.99 -44.17 94.7 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.12 0.262 . . . . 2.2 110.519 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.61 -51.63 67.93 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.295 -0.412 . . . . 0.37 111.036 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 30.4 m0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.47 111.689 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 9.3 p90 . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 111.974 0.361 . . . . 0.81 111.974 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 13.2 mmt -72.08 -36.26 69.47 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.45 -0.5 . . . . 1.17 110.614 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 60.1 ttp -70.63 -47.02 62.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.223 0.535 . . . . 1.2 109.573 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.12 -36.91 85.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.434 -0.803 . . . . 0.82 110.693 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.6 -34.53 53.47 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 121.089 -0.244 . . . . 0.23 110.372 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -64.77 -42.71 94.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.809 -0.441 . . . . 3.33 109.809 175.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -66.32 -42.97 87.47 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.404 -0.591 . . . . 1.89 109.404 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 672' ' ' ALA . . . . . 0.421 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -58.03 -39.52 78.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.23 110.93 174.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -63.44 -44.69 93.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.663 -0.699 . . . . 1.76 110.005 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.0 mtm -71.55 -20.42 62.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.71 -0.677 . . . . 0.79 110.554 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -85.56 -22.77 27.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.514 -0.312 . . . . 0.53 110.611 175.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 676' ' ' PHE . . . . . 0.45 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 24.8 t80 . . . . . 0 C--N 1.325 -0.479 0 C-N-CA 120.949 -0.3 . . . . 0.82 110.935 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.5 t70 . . . . . 0 CA--C 1.531 0.216 0 N-CA-C 109.362 -0.607 . . . . 1.68 109.362 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.02 -31.82 55.32 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.091 2.527 . . . . 0.42 113.763 -177.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -68.87 -54.54 15.06 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.266 0.555 . . . . 2.21 110.367 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -67.72 -34.65 77.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.401 -0.818 . . . . 3.24 109.521 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 689' ' ' SER . . . . . 0.45 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 25.1 t -55.52 -52.4 63.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.523 -0.762 . . . . 1.11 110.437 176.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.45 -32.9 71.82 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.144 -1.026 . . . . 0.19 111.973 -178.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -63.49 -46.59 85.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.048 0.451 . . . . 1.54 109.891 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.13 -36.83 80.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.089 -0.505 . . . . 1.35 110.939 178.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 693' ' ' TYR . . . . . 0.421 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 5.4 m-85 -65.85 -37.73 86.96 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.607 0.241 . . . . 1.33 111.11 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 7.0 p -72.94 -35.75 67.05 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.572 -0.451 . . . . 0.31 110.555 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -66.81 -40.82 88.18 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.261 0.553 . . . . 2.13 109.861 174.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.21 97.38 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.768 -0.651 . . . . 0.18 110.623 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.76 -33.92 76.69 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.884 0.373 . . . . 0.2 110.309 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.7 -48.94 79.68 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.85 -0.614 . . . . 1.84 109.799 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.84 -25.96 65.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.21 110.926 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.27 -46.31 50.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 0.16 110.83 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -71.32 -23.77 62.0 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.258 -0.275 . . . . 0.76 110.258 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -60.92 -39.47 89.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.35 0.595 . . . . 2.58 110.027 171.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -83.68 9.84 10.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.455 -0.793 . . . . 0.45 110.302 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 97.8 mmm 59.75 32.31 21.32 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.438 -0.801 . . . . 2.61 111.186 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -102.71 80.43 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.875 -0.602 . . . . 1.59 109.966 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -58.34 -41.54 95.15 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.194 -0.912 . . . . 0.47 113.785 -175.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -62.58 -47.65 82.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 117.032 0.416 . . . . 3.9 110.981 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 36.6 mt -64.87 -44.65 89.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 1.02 110.26 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.39 -45.95 83.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.768 -0.651 . . . . 0.21 110.612 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -64.16 -44.63 91.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 1.6 110.267 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -56.14 -54.25 47.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.968 0.413 . . . . 1.83 110.923 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -64.9 -30.67 71.67 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.177 0.436 . . . . 0.44 112.177 -178.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -68.05 -42.6 80.27 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.343 -0.543 . . . . 2.95 109.681 171.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -61.02 -29.06 69.49 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.485 -0.78 . . . . 1.98 110.345 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.9 tptm -82.85 -34.17 26.89 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.387 -0.824 . . . . 1.67 109.008 -177.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.62 81.87 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.036 -0.529 . . . . 0.25 109.783 172.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -50.75 -53.47 31.36 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.408 -0.814 . . . . 2.16 110.182 173.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -57.83 -43.61 85.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.921 -0.581 . . . . 2.2 111.332 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.0 77.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.37 111.276 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 17.9 m0 . . . . . 0 C--N 1.327 -0.404 0 C-N-CA 120.813 -0.355 . . . . 0.47 111.728 -179.379 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 112.004 -0.438 . . . . 15.53 112.004 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 36.1 t -95.21 -56.41 2.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.18 0.514 . . . . 14.35 110.135 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -155.36 131.9 10.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.767 -0.651 . . . . 13.37 109.531 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 52.0 tpp -56.07 121.74 10.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.124 -0.489 . . . . 13.3 110.301 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 13.4 m -117.42 150.92 47.41 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.037 -0.529 . . . . 9.26 110.012 -175.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 628' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.19 62.44 6.8 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.626 2.217 . . . . 7.14 112.127 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -74.06 -2.58 24.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.545 -0.752 . . . . 7.07 110.564 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -91.87 47.37 1.34 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.424 -0.807 . . . . 8.95 109.794 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 9.4 m -67.03 -19.28 65.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.622 -0.717 . . . . 4.38 111.635 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -92.92 -13.3 29.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.937 0.399 . . . . 4.67 111.171 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.92 -26.53 64.19 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.507 0.558 . . . . 5.22 112.507 -171.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 634' ' ' TRP . . . . . 0.436 ' HB3' ' CA ' ' A' ' 706' ' ' GLY . 70.1 p-90 -76.99 -32.48 57.25 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.723 -0.791 . . . . 3.28 110.768 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 635' ' ' LEU . 4.8 mp -69.56 -43.57 72.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.931 -0.766 . . . . 3.12 108.931 174.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.476 ' O ' ' HD1' ' A' ' 640' ' ' TRP . 27.7 tp10 -60.27 -48.21 82.69 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.928 -1.033 . . . . 5.37 110.214 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.3 -48.43 81.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.639 -0.71 . . . . 2.89 111.79 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.64 -20.21 60.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.555 -0.293 . . . . 2.25 111.15 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -72.8 -42.35 63.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 5.62 110.161 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 640' ' ' TRP . . . . . 0.476 ' HD1' ' O ' ' A' ' 636' ' ' GLU . 74.9 m95 -74.01 -16.6 61.06 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.463 -0.335 . . . . 7.07 110.967 178.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 6.7 t80 67.43 171.08 0.26 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.632 -0.713 . . . . 5.5 110.013 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 642' ' ' ASN . . . . . 0.478 ' O ' ' HG3' ' A' ' 717' ' ' GLU . 0.2 OUTLIER -147.75 93.36 2.19 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.087 -0.709 . . . . 4.9 109.087 177.522 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 30.1 p -79.56 51.55 1.27 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.837 -0.62 . . . . 4.46 112.537 -173.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . 68.64 -59.92 0.45 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.479 0.712 . . . . 5.98 112.848 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 83.5 mt -84.51 1.81 43.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.92 0.391 . . . . 8.01 111.68 -171.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.436 ' HB2' ' ND2' ' A' ' 642' ' ' ASN . 43.7 mt-10 -89.48 113.57 24.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.455 . . . . 8.8 109.939 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 26.7 ptm -87.54 148.28 24.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.771 0.32 . . . . 12.08 110.197 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 46.4 p -118.66 -169.19 1.67 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.185 -0.461 . . . . 10.68 110.322 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -72.4 -26.26 61.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.762 0.315 . . . . 13.39 111.667 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 34.5 t 61.25 28.77 18.27 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.746 -0.661 . . . . 12.15 110.107 -175.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -76.45 81.76 3.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.742 0.782 . . . . 13.19 111.263 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 652' ' ' GLU . . . . . 0.407 ' HB2' ' HG2' ' A' ' 707' ' ' ARG . 17.6 tp10 -126.33 90.12 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.489 -0.778 . . . . 15.45 109.561 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -93.19 -108.59 1.88 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.573 -0.822 . . . . 13.46 112.364 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -150.26 98.1 0.18 Allowed Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.086 -0.578 . . . . 12.43 112.249 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -107.47 117.2 33.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.446 0.641 . . . . 10.98 110.083 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -113.18 89.92 3.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.545 -0.752 . . . . 11.8 110.948 -174.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -171.13 117.54 0.46 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.937 -0.574 . . . . 7.39 110.328 175.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 88.99 -13.05 64.19 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 5.88 112.273 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 28.4 ttt -86.66 65.68 9.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.747 0.784 . . . . 3.98 109.816 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -97.78 48.98 1.02 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.139 -0.937 . . . . 6.1 109.441 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -145.52 148.17 32.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.309 -0.859 . . . . 3.86 109.795 -172.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -80.18 106.61 5.32 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.804 -0.813 . . . . 3.19 108.804 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.45 118.13 5.02 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 121.72 1.613 . . . . 0.97 112.723 -166.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 664' ' ' ARG . . . . . 0.422 ' O ' HD13 ' A' ' 668' ' ' LEU . 15.2 ptt180 -80.62 -27.48 37.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.131 -0.486 . . . . 3.16 111.506 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 665' ' ' TYR . . . . . 0.533 ' HB3' ' HB3' ' A' ' 699' ' ' ALA . 7.1 p90 -64.3 -27.41 69.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.535 -0.302 . . . . 0.81 111.747 -175.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 61.0 mtt -73.32 -36.98 66.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.801 0.334 . . . . 1.17 110.23 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 52.9 ttp -68.31 -46.75 69.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.721 -0.474 . . . . 1.2 109.721 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 664' ' ' ARG . 9.7 mp -62.98 -36.88 85.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.426 -0.806 . . . . 0.82 110.916 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -78.76 -32.09 46.46 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.688 0.28 . . . . 0.23 110.466 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 670' ' ' ARG . . . . . 0.448 ' O ' ' HG3' ' A' ' 674' ' ' MET . 12.9 tpp180 -65.38 -44.43 87.59 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.678 -0.49 . . . . 3.33 109.678 176.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 671' ' ' GLU . . . . . 0.418 ' O ' HD23 ' A' ' 675' ' ' LEU . 34.7 tt0 -66.11 -42.58 89.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.492 -0.559 . . . . 1.89 109.492 176.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.15 -40.01 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.23 111.126 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.56 -39.06 91.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.922 -0.581 . . . . 1.76 109.924 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 674' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 670' ' ' ARG . 61.0 mtt -66.36 -29.45 69.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.819 -0.628 . . . . 0.79 110.66 176.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 671' ' ' GLU . 4.6 mm? -85.72 -14.66 44.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.769 0.319 . . . . 0.53 110.499 177.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -85.02 -61.25 1.82 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.317 -0.401 . . . . 0.82 110.801 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 10.2 t -103.77 0.87 30.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.724 0.297 . . . . 1.45 111.637 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 92.19 119.51 2.55 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.325 -0.94 . . . . 1.4 111.522 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -123.8 -158.75 10.23 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.547 -0.835 . . . . 2.07 113.021 -175.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -71.22 83.67 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 5.05 111.28 -175.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 88.14 10.7 68.4 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.744 -0.741 . . . . 1.41 112.055 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -112.02 121.02 43.85 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.116 -0.327 . . . . 1.38 110.116 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -78.18 139.13 38.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.058 -0.519 . . . . 2.83 109.638 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 684' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -61.74 124.65 21.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.285 0.564 . . . . 1.72 110.946 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -146.74 101.73 3.95 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.735 -0.666 . . . . 1.68 109.553 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 686' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 719' ' ' ALA . 62.1 Cg_exo -53.39 -31.42 57.36 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.961 2.441 . . . . 0.42 113.584 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -69.66 -55.18 10.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.554 -0.294 . . . . 2.21 110.385 -176.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -67.42 -34.34 77.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.725 -0.472 . . . . 3.24 109.725 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 17.2 t -55.62 -50.77 69.28 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.683 -0.69 . . . . 1.11 110.326 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.34 -35.63 82.73 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.374 -0.917 . . . . 0.19 112.5 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -65.19 -36.78 85.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.155 0.502 . . . . 1.54 110.487 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 38.1 mt -73.53 -38.3 65.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.258 -0.428 . . . . 1.35 110.687 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -69.32 -34.62 74.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.692 -0.231 . . . . 1.33 111.554 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 21.9 p -69.87 -39.65 76.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.915 0.388 . . . . 0.31 110.173 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -65.27 -42.19 93.46 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.01 -0.541 . . . . 2.13 109.89 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.83 89.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.821 -0.627 . . . . 0.18 110.795 177.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.6 91.64 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.475 0.179 . . . . 0.2 110.901 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.18 -46.81 87.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 1.84 110.171 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 665' ' ' TYR . . . -70.77 -29.14 65.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.807 -0.633 . . . . 0.21 110.974 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.48 -48.84 37.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 0.16 111.172 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -69.02 -23.23 64.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.024 0.44 . . . . 0.76 110.05 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -69.57 -33.05 72.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.822 -0.626 . . . . 2.58 109.994 174.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -87.6 19.43 3.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.666 -0.697 . . . . 0.45 111.152 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 77.9 mtp 68.07 13.57 9.14 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.744 -0.662 . . . . 2.61 111.564 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 705' ' ' LYS . . . . . 0.509 ' HD3' HD12 ' A' ' 708' ' ' LEU . 55.1 mttm -106.61 85.1 2.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.194 0.521 . . . . 1.59 111.233 -178.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 706' ' ' GLY . . . . . 0.436 ' CA ' ' HB3' ' A' ' 634' ' ' TRP . . . -63.75 -35.17 91.67 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.43 -0.804 . . . . 0.47 113.495 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 707' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 707' ' ' ARG . 5.1 tpm_? -60.24 -46.18 90.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.067 0.433 . . . . 3.9 110.745 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 708' ' ' LEU . . . . . 0.509 HD12 ' HD3' ' A' ' 705' ' ' LYS . 44.3 mt -65.08 -45.26 85.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 1.02 110.597 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.09 -43.76 82.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.972 -0.558 . . . . 0.21 110.489 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -62.49 -49.91 73.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.485 -0.78 . . . . 1.6 111.052 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -61.79 -49.76 75.05 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.673 0.249 . . . . 1.83 111.673 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -60.51 -34.29 73.87 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.895 -0.322 . . . . 0.44 111.266 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -72.18 -37.1 69.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.597 -0.52 . . . . 2.95 109.597 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.28 -31.38 70.18 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.467 -0.788 . . . . 1.98 109.798 174.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -84.71 -31.18 24.2 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.246 -0.888 . . . . 1.67 108.761 -174.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.54 94.82 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.359 -0.837 . . . . 0.25 109.911 175.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 717' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 642' ' ' ASN . 78.1 mm-40 -65.48 -43.97 88.58 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.64 -0.709 . . . . 2.16 110.312 177.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -57.85 -43.22 85.74 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.794 0.331 . . . . 2.2 110.935 176.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 719' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 686' ' ' PRO . . . -55.07 -49.91 70.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.863 -0.608 . . . . 0.37 110.927 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -76.62 -30.65 56.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.396 -0.366 . . . . 0.47 111.432 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -61.45 -30.34 70.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.988 0.423 . . . . 0.64 111.032 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -64.61 -17.05 63.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.007 -0.542 . . . . 2.38 111.715 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 96.7 mmm -89.44 -11.56 42.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.574 -0.284 . . . . 2.42 111.137 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -123.27 29.0 6.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.648 0.737 . . . . 4.88 110.262 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 . . . . . 0 C--O 1.246 0.898 0 CA-C-N 115.262 -0.881 . . . . 5.52 109.717 -179.555 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.437 ' HA3' ' CB ' ' A' ' 627' ' ' SER . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 112.019 -0.432 . . . . 15.53 112.019 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 29.1 t -158.17 -40.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.793 0.33 . . . . 14.35 110.426 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -99.36 96.49 7.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 13.37 110.878 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.557 ' O ' ' HA ' ' A' ' 655' ' ' GLU . 20.2 mmt 58.98 23.93 12.07 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.022 -0.535 . . . . 13.3 111.773 177.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.443 ' HA ' ' HD3' ' A' ' 628' ' ' PRO . 5.8 m -80.91 140.33 50.26 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.528 -0.306 . . . . 9.26 110.189 -177.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 628' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 627' ' ' SER . 8.9 Cg_exo -73.83 52.5 2.58 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.05 2.5 . . . . 7.14 112.946 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 629' ' ' ASP . . . . . 0.415 ' OD1' ' HB2' ' A' ' 627' ' ' SER . 9.3 m-20 -66.75 -32.01 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 7.07 110.47 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -82.98 68.44 9.48 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.103 -0.703 . . . . 8.95 109.103 177.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 631' ' ' CYS . . . . . 0.542 ' HA ' ' NE1' ' A' ' 634' ' ' TRP . 3.6 p -76.84 53.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.364 -0.834 . . . . 4.38 111.298 -176.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -133.57 -55.87 0.89 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.3 -0.863 . . . . 4.67 110.218 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -58.97 6.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.828 -0.624 . . . . 5.22 111.375 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 634' ' ' TRP . . . . . 0.542 ' NE1' ' HA ' ' A' ' 631' ' ' CYS . 67.8 p-90 -68.03 -22.98 64.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.082 0.468 . . . . 3.28 110.422 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -67.08 -48.97 66.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.753 -0.658 . . . . 3.12 109.384 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 639' ' ' HIS . 20.3 tp10 -71.01 -37.0 72.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.602 . . . . 5.37 109.939 177.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.13 87.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.91 -0.586 . . . . 2.89 110.935 177.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 710' ' ' ASN . 41.3 tp -64.06 -33.45 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.889 -0.596 . . . . 2.25 110.765 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 639' ' ' HIS . . . . . 0.481 ' HB3' ' O ' ' A' ' 636' ' ' GLU . 10.7 t-160 -62.71 -23.02 66.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.494 -0.776 . . . . 5.62 111.15 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -113.22 9.83 18.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.759 0.314 . . . . 7.07 111.224 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -81.14 66.23 6.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.634 0.73 . . . . 5.5 110.193 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.45 60.31 1.01 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.46 -0.791 . . . . 4.9 109.704 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 46.0 p -99.31 -36.69 9.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.853 -0.612 . . . . 4.46 111.552 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . 71.09 -58.93 0.56 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.73 0.812 . . . . 5.98 111.801 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 83.6 mt -94.58 -51.02 4.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.451 0.167 . . . . 8.01 111.451 -174.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.5 107.57 1.41 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.969 0.414 . . . . 8.8 111.08 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -100.37 147.82 25.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.93 -0.577 . . . . 12.08 110.013 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 16.0 m -84.99 73.49 10.68 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.498 0.666 . . . . 10.68 110.038 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -109.8 64.07 0.61 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.489 -0.778 . . . . 13.39 109.751 -177.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 7.0 p -127.78 68.87 1.32 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.323 -0.853 . . . . 12.15 109.127 175.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 651' ' ' ASP . . . . . 0.419 ' CG ' HH12 ' A' ' 707' ' ' ARG . 17.0 t70 -140.6 145.91 37.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.879 -0.601 . . . . 13.19 112.015 -169.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -128.47 42.04 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.809 -0.632 . . . . 15.45 110.138 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 97.06 95.08 1.88 Allowed Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.131 -0.788 . . . . 13.46 111.131 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -117.29 -102.94 2.24 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.724 -0.75 . . . . 12.43 112.79 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' A' ' 626' ' ' MET . 1.6 mp0 -54.28 115.65 2.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.976 0.417 . . . . 10.98 112.036 -177.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -112.12 80.8 1.37 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.995 -0.742 . . . . 11.8 108.995 171.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -102.35 143.85 31.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.496 -0.774 . . . . 7.39 111.254 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -122.8 75.24 0.37 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.165 -0.54 . . . . 5.88 111.85 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.73 144.59 56.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.978 0.418 . . . . 3.98 110.619 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -98.31 49.74 1.0 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.555 0.693 . . . . 6.1 110.505 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -147.36 131.58 17.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.984 -1.007 . . . . 3.86 109.616 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.13 117.79 43.13 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 107.871 -1.159 . . . . 3.19 107.871 172.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.04 116.17 3.19 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 121.37 1.38 . . . . 0.97 113.083 -162.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -82.43 -31.72 29.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.231 -0.895 . . . . 3.16 110.535 173.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -65.11 -28.36 69.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.681 -0.69 . . . . 0.81 111.673 -174.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 68.4 mtt -73.26 -36.02 66.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.025 0.441 . . . . 1.17 109.954 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -71.38 -45.97 61.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.93 -0.767 . . . . 1.2 108.93 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.47 -39.12 82.67 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.829 -0.623 . . . . 0.82 110.733 176.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -74.24 -34.97 63.82 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 120.887 0.375 . . . . 0.23 110.336 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -65.17 -41.89 94.22 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.179 -0.464 . . . . 3.33 109.864 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 671' ' ' GLU . . . . . 0.458 ' O ' HD23 ' A' ' 675' ' ' LEU . 37.4 tt0 -64.99 -43.94 90.92 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.953 -0.758 . . . . 1.89 108.953 177.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.74 73.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.23 111.319 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.02 -39.35 87.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 1.76 110.536 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 72.4 mtm -71.34 -23.65 61.96 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-O 120.78 0.324 . . . . 0.79 110.572 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.5 mm? -82.78 -27.5 30.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.568 -0.287 . . . . 0.53 110.629 176.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 676' ' ' PHE . . . . . 0.454 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 32.9 t80 -75.62 -55.03 6.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.709 0.29 . . . . 0.82 111.009 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 77.9 p -87.83 -21.24 25.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.07 0.462 . . . . 1.45 111.229 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 93.49 167.74 38.3 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.525 -1.03 . . . . 1.4 110.525 -173.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -169.41 -170.07 33.49 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.463 -0.875 . . . . 2.07 111.934 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -80.47 73.98 7.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.115 0.483 . . . . 5.05 110.225 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 126.37 -17.49 6.57 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 111.452 -0.659 . . . . 1.41 111.452 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.75 128.34 49.53 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.687 -0.486 . . . . 1.38 109.687 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -91.6 145.82 24.29 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.227 -0.442 . . . . 2.83 110.061 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 684' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 20.7 ptmt -72.52 105.33 4.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.4 0.619 . . . . 1.72 111.369 -178.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -128.95 92.98 38.2 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.649 -0.705 . . . . 1.68 110.254 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -52.3 -31.47 46.95 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.909 2.406 . . . . 0.42 113.286 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -55.1 19.19 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.523 -0.547 . . . . 2.21 109.523 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -67.77 -29.4 68.59 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.004 -0.543 . . . . 3.24 109.832 -177.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 689' ' ' SER . . . . . 0.454 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 23.1 t -56.0 -51.51 67.51 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.065 -0.516 . . . . 1.11 110.302 175.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.29 -31.74 68.75 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.053 -1.07 . . . . 0.19 111.73 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.577 ' O ' ' HG2' ' A' ' 695' ' ' GLN . 18.1 t70 -60.15 -49.15 78.79 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 109.426 -0.583 . . . . 1.54 109.426 176.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.06 -35.94 79.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.659 -0.701 . . . . 1.35 111.418 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.62 -35.62 77.54 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.707 -0.397 . . . . 1.33 111.238 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 4.8 p -72.14 -38.73 69.16 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.389 -0.525 . . . . 0.31 110.302 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 695' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 691' ' ' ASP . 90.3 mm-40 -63.77 -41.9 97.89 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.443 -0.577 . . . . 2.13 109.443 175.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -62.88 -40.08 96.42 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.587 -0.733 . . . . 0.18 110.778 176.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.16 82.64 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.624 0.25 . . . . 0.2 110.342 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.69 -51.93 66.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.91 -0.404 . . . . 1.84 109.91 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -63.75 -27.81 69.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.21 110.896 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.36 -51.08 18.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.178 -0.464 . . . . 0.16 110.733 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -66.71 -33.02 74.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.614 -0.266 . . . . 0.76 110.886 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -73.89 -26.25 60.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 2.58 110.552 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -88.7 17.2 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.45 110.93 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 74.4 mtp 64.64 27.47 13.22 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.861 -0.609 . . . . 2.61 111.576 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 705' ' ' LYS . . . . . 0.439 ' HB3' ' HB2' ' A' ' 708' ' ' LEU . 71.5 mmtt -106.33 74.08 1.01 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.736 0.303 . . . . 1.59 110.473 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 706' ' ' GLY . . . . . 0.478 ' HA2' ' CZ3' ' A' ' 634' ' ' TRP . . . -52.79 -50.95 47.72 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.718 -0.674 . . . . 0.47 113.627 -178.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 707' ' ' ARG . . . . . 0.426 ' HB2' ' OE1' ' A' ' 655' ' ' GLU . 18.7 ttm180 -59.35 -45.1 92.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.359 . . . . 3.9 111.305 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 708' ' ' LEU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 705' ' ' LYS . 4.0 mm? -61.54 -47.32 86.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.5 . . . . 1.02 110.097 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.19 88.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.517 -0.765 . . . . 0.21 110.632 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 710' ' ' ASN . . . . . 0.448 ' HA ' HD13 ' A' ' 638' ' ' LEU . 3.5 t-20 -59.71 -53.69 55.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 1.6 109.855 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -55.17 -58.2 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.354 -0.839 . . . . 1.83 111.063 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -65.37 -31.53 72.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.141 0.423 . . . . 0.44 112.141 -174.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -70.27 -45.61 66.04 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.171 -0.677 . . . . 2.95 109.171 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -66.3 -24.46 66.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.309 -0.86 . . . . 1.98 110.345 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -81.1 -32.23 33.95 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.696 -0.853 . . . . 1.67 108.696 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.9 -49.39 72.86 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.866 -0.606 . . . . 0.25 109.469 171.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -54.23 -46.41 72.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.168 -0.924 . . . . 2.16 110.213 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.6 -44.71 95.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 2.2 110.809 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.35 -45.89 83.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.37 111.076 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 720' ' ' TRP . . . . . 0.448 ' HA ' ' HB2' ' A' ' 723' ' ' MET . 33.7 m0 -76.5 -25.5 54.28 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.78 -0.368 . . . . 0.47 111.775 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -72.72 -29.43 63.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.524 0.678 . . . . 0.64 110.303 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -98.1 15.02 25.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.811 -1.086 . . . . 2.38 110.738 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 723' ' ' MET . . . . . 0.448 ' HB2' ' HA ' ' A' ' 720' ' ' TRP . 14.3 ttt -66.91 62.26 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.424 0.631 . . . . 2.42 112.212 -174.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -152.57 31.63 0.51 Allowed 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.435 -0.95 . . . . 4.88 108.435 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 114.296 -1.32 . . . . 5.52 110.306 -176.683 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.629 ' HA2' ' O ' ' A' ' 656' ' ' TYR . . . . . . . . 0 N--CA 1.483 1.82 0 CA-C-O 120.259 -0.19 . . . . 15.53 112.814 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 16.4 m -64.86 -40.05 94.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.098 0.475 . . . . 14.35 110.264 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 625' ' ' HIS . . . . . 0.426 ' O ' ' HB2' ' A' ' 626' ' ' MET . 87.0 m-70 -119.82 96.37 5.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.026 -0.533 . . . . 13.37 109.668 175.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.434 ' O ' ' HD3' ' A' ' 628' ' ' PRO . 22.6 mmt 70.74 130.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 O-C-N 124.114 0.884 . . . . 13.3 111.183 -176.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 3.3 p -117.41 82.02 14.6 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.576 -0.738 . . . . 9.26 110.352 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 628' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 626' ' ' MET . 8.1 Cg_exo -71.87 76.39 2.03 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.243 2.629 . . . . 7.14 112.188 -178.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.97 -26.32 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.016 -0.538 . . . . 7.07 109.741 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 630' ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' A' ' 630' ' ' ARG . 28.2 ttt180 -96.41 50.63 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.797 0.808 . . . . 8.95 109.571 175.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 2.5 p -82.97 61.05 5.77 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.454 0.645 . . . . 4.38 109.774 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -134.83 -7.95 2.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.39 -0.823 . . . . 4.67 111.589 -174.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -75.79 -24.61 55.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.76 0.314 . . . . 5.22 110.684 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 634' ' ' TRP . . . . . 0.414 ' CH2' ' HB2' ' A' ' 701' ' ' MET . 67.8 p-90 -66.14 -26.13 67.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.264 -0.425 . . . . 3.28 110.541 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.07 -45.3 89.37 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.707 -0.479 . . . . 3.12 109.707 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -67.3 -44.08 80.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.561 -0.745 . . . . 5.37 110.184 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.82 98.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.783 -0.644 . . . . 2.89 111.023 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.74 -21.07 59.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 2.25 110.93 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -71.57 -40.29 70.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.931 0.396 . . . . 5.62 110.568 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -92.87 12.0 25.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.992 -0.549 . . . . 7.07 110.996 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -69.28 70.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.69 -0.686 . . . . 5.5 111.215 -176.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -100.85 58.67 0.91 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.478 0.656 . . . . 4.9 109.801 177.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 6.8 t -164.61 139.64 5.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.315 -0.857 . . . . 4.46 110.166 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.82 -12.62 44.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.019 0.437 . . . . 5.98 110.642 177.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 90.6 mt -124.49 112.6 17.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.107 -0.497 . . . . 8.01 110.893 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -141.66 133.83 27.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.812 -0.631 . . . . 8.8 109.556 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 55.4 ttp -84.18 92.54 7.96 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.907 -0.405 . . . . 12.08 109.907 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.92 70.45 1.97 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.169 -0.468 . . . . 10.68 110.978 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -103.58 76.28 1.39 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.206 0.527 . . . . 13.39 110.264 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 73.4 m -146.46 23.02 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.941 -0.572 . . . . 12.15 110.62 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -167.5 129.28 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.363 -0.381 . . . . 13.19 111.481 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -108.48 35.7 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.015 0.435 . . . . 15.45 110.267 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 87.4 41.9 6.36 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.89 -0.671 . . . . 13.46 112.275 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -105.69 -136.59 8.58 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.592 -0.603 . . . . 12.43 111.592 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 50.27 53.38 12.99 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.399 0.619 . . . . 10.98 110.352 -175.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 656' ' ' TYR . . . . . 0.629 ' O ' ' HA2' ' A' ' 623' ' ' GLY . 67.9 t80 -94.0 75.01 4.13 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.27 0.557 . . . . 11.8 110.709 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 657' ' ' ASP . . . . . 0.413 ' HB3' ' SD ' ' A' ' 704' ' ' MET . 13.0 t70 -135.44 111.0 9.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.639 -0.71 . . . . 7.39 109.578 175.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 73.85 25.56 71.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.686 -0.769 . . . . 5.88 111.926 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 27.5 ttt -79.65 104.19 10.08 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.185 0.517 . . . . 3.98 110.282 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -53.52 139.15 32.1 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.9 -1.046 . . . . 6.1 111.119 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.32 -28.79 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.167 -0.924 . . . . 3.86 110.694 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -112.5 90.11 13.99 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.766 -0.652 . . . . 3.19 109.259 170.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.01 121.64 6.3 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.077 1.851 . . . . 0.97 112.004 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 664' ' ' ARG . . . . . 0.443 ' O ' HD13 ' A' ' 668' ' ' LEU . 81.8 mtp180 -69.0 -35.64 76.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.78 -0.645 . . . . 3.16 110.983 -177.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -62.57 -29.69 70.77 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.984 0.364 . . . . 0.81 111.984 -174.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 61.2 mtt -76.6 -40.02 50.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.768 0.318 . . . . 1.17 110.632 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -69.68 -42.67 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.956 -0.757 . . . . 1.2 108.956 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.474 HD23 ' HG3' ' A' ' 695' ' ' GLN . 7.1 mp -62.4 -39.56 93.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.234 -0.894 . . . . 0.82 110.78 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.18 -35.68 61.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 120.834 -0.347 . . . . 0.23 110.578 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 47.6 ttp85 -67.16 -38.07 84.85 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.508 -0.553 . . . . 3.33 109.508 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.72 -45.48 82.54 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.05 -0.722 . . . . 1.89 109.05 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.406 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -57.0 -39.15 74.15 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.804 -0.634 . . . . 0.23 111.064 175.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.13 -41.69 97.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 1.76 110.488 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 75.8 mtm -70.34 -24.53 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.79 110.429 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.575 HD11 ' NH1' ' A' ' 688' ' ' ARG . 3.5 mm? -80.21 -30.19 38.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.856 0.36 . . . . 0.53 110.842 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 676' ' ' PHE . . . . . 0.47 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 24.7 t80 -81.36 -51.01 8.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.461 -0.336 . . . . 0.82 111.473 -178.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 41.4 p -93.22 -16.35 24.9 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.38 0.511 . . . . 1.45 112.38 -175.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 99.21 124.91 5.28 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.547 -0.835 . . . . 1.4 111.362 -176.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -134.5 178.08 18.72 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.543 -0.837 . . . . 2.07 112.481 -176.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -67.76 92.94 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.278 0.561 . . . . 5.05 111.121 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 96.35 -0.2 61.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.881 -0.676 . . . . 1.41 111.782 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -112.12 125.97 54.68 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.673 -0.491 . . . . 1.38 109.673 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 683' ' ' GLU . . . . . 0.45 ' O ' HD13 ' A' ' 675' ' ' LEU . 3.1 pm0 -80.08 169.44 17.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.083 0.468 . . . . 2.83 110.355 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 684' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 88.1 tttt -96.42 103.79 15.72 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.858 -0.61 . . . . 1.72 109.799 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -136.85 98.91 10.43 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.049 -0.523 . . . . 1.68 110.355 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.7 -31.76 62.2 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.918 2.412 . . . . 0.42 113.066 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -66.73 -53.92 28.32 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 110.052 -0.351 . . . . 2.21 110.052 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 688' ' ' ARG . . . . . 0.575 ' NH1' HD11 ' A' ' 675' ' ' LEU . 25.3 ttm180 -68.48 -33.91 75.0 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.573 -0.528 . . . . 3.24 109.573 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 689' ' ' SER . . . . . 0.47 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 22.0 t -54.78 -53.14 59.05 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.08 -0.509 . . . . 1.11 110.262 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.05 -31.27 72.16 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.196 -1.002 . . . . 0.19 111.839 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.35 -45.29 93.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.196 0.522 . . . . 1.54 110.048 176.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 60.1 mt -71.4 -34.24 70.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.725 -0.671 . . . . 1.35 110.716 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 693' ' ' TYR . . . . . 0.406 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 9.2 m-85 -69.18 -37.31 78.09 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.978 -0.289 . . . . 1.33 111.393 176.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 8.3 p -73.37 -36.07 66.04 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.726 -0.39 . . . . 0.31 110.355 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 695' ' ' GLN . . . . . 0.474 ' HG3' HD23 ' A' ' 668' ' ' LEU . 60.1 tp60 -65.38 -41.49 93.7 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.178 -0.675 . . . . 2.13 109.178 174.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.16 96.39 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.643 -0.708 . . . . 0.18 110.814 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.04 -35.74 80.54 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.863 0.363 . . . . 0.2 110.142 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.06 -47.89 82.69 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.972 -0.558 . . . . 1.84 109.807 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.35 -27.25 66.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.018 0.437 . . . . 0.21 110.878 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.23 -49.36 35.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.161 -0.472 . . . . 0.16 110.723 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 701' ' ' MET . . . . . 0.414 ' HB2' ' CH2' ' A' ' 634' ' ' TRP . 26.1 ptt? -68.22 -28.55 67.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.995 0.426 . . . . 0.76 109.946 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -65.55 -40.69 93.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.86 -0.609 . . . . 2.58 110.193 175.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -90.28 17.85 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.689 -0.687 . . . . 0.45 111.891 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 704' ' ' MET . . . . . 0.413 ' SD ' ' HB3' ' A' ' 657' ' ' ASP . 50.8 ttm 62.78 49.57 3.66 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.406 0.622 . . . . 2.61 110.777 176.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -124.94 85.07 2.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.198 -0.455 . . . . 1.59 110.066 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -60.54 -52.17 54.22 Favored Glycine 0 CA--C 1.518 0.276 0 CA-C-N 115.936 -0.575 . . . . 0.47 113.288 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 35.5 ttp85 -61.85 -39.06 90.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.986 0.393 . . . . 3.9 111.056 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.7 -49.07 74.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.456 -0.338 . . . . 1.02 110.142 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.74 -48.37 81.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.875 -0.602 . . . . 0.21 110.769 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -57.36 -52.65 64.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.972 -0.558 . . . . 1.6 110.329 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -55.14 -55.42 31.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.881 0.372 . . . . 1.83 111.301 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -62.5 -32.08 72.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.07 0.396 . . . . 0.44 112.07 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -72.57 -37.81 68.08 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.218 -0.593 . . . . 2.95 109.813 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -66.38 -27.63 68.01 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.657 0.741 . . . . 1.98 109.847 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -83.5 -32.13 26.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.11 -0.95 . . . . 1.67 109.108 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.32 -48.18 76.59 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 109.573 -0.529 . . . . 0.25 109.573 171.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -51.41 -52.61 44.53 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.219 -0.901 . . . . 2.16 110.141 173.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.34 -42.99 96.84 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.403 -0.362 . . . . 2.2 111.462 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.62 74.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.697 0.284 . . . . 0.37 111.064 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -76.64 -31.99 57.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.312 -0.404 . . . . 0.47 111.881 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -70.35 -44.84 67.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.968 0.413 . . . . 0.64 111.159 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -89.68 -57.79 2.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.148 -0.478 . . . . 2.38 110.811 -174.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 68.1 mtm 63.55 -63.9 0.13 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.636 0.774 . . . . 2.42 112.085 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.99 77.08 4.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.394 0.616 . . . . 4.88 111.458 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.825 -0.607 . . . . 5.52 109.575 176.245 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.8 -0.52 . . . . 15.53 111.8 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 22.6 m -73.64 97.54 2.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.098 0.475 . . . . 14.35 110.637 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -130.81 150.29 52.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 13.37 109.715 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.486 ' O ' ' HA ' ' A' ' 655' ' ' GLU . 3.3 mmt -65.82 146.82 54.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.909 0.385 . . . . 13.3 110.079 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 1.6 p -135.48 156.01 78.07 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.887 -0.597 . . . . 9.26 109.69 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 628' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -75.05 53.49 3.37 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.678 2.252 . . . . 7.14 112.406 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.46 -35.42 79.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.318 0.58 . . . . 7.07 109.889 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -90.43 43.19 1.13 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.716 -0.674 . . . . 8.95 110.498 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 631' ' ' CYS . . . . . 0.556 ' HB2' ' SD ' ' A' ' 704' ' ' MET . 23.0 p -79.34 47.4 0.8 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.092 0.473 . . . . 4.38 110.829 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 632' ' ' GLN . . . . . 0.42 ' HA ' HD13 ' A' ' 635' ' ' LEU . 9.3 pt20 -131.45 -33.51 1.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.993 -0.549 . . . . 4.67 111.708 -177.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -62.07 -28.25 69.48 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 120.598 0.237 . . . . 5.22 111.452 -177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 634' ' ' TRP . . . . . 0.58 ' CD2' ' HA3' ' A' ' 706' ' ' GLY . 62.5 p-90 -70.33 -26.44 63.76 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.67 -0.412 . . . . 3.28 111.039 -176.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 632' ' ' GLN . 5.8 mp -70.35 -41.12 73.57 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.589 -0.522 . . . . 3.12 109.589 176.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.31 -45.52 80.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.294 -0.866 . . . . 5.37 109.916 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.43 89.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.453 -0.794 . . . . 2.89 110.824 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 29.2 tp -63.88 -33.08 74.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.513 -0.767 . . . . 2.25 110.64 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -63.87 -45.19 90.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.03 -0.532 . . . . 5.62 111.163 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -83.32 -18.59 38.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.65 -0.25 . . . . 7.07 111.39 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 51.21 65.48 1.47 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.113 0.482 . . . . 5.5 111.123 -176.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -80.65 53.35 1.86 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.466 0.651 . . . . 4.9 109.782 177.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 643' ' ' THR . . . . . 0.51 ' HB ' ' HB2' ' A' ' 717' ' ' GLU . 17.4 p -65.57 131.06 45.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.5 -0.773 . . . . 4.46 111.768 -174.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 644' ' ' ALA . . . . . 0.424 ' H ' ' HA ' ' A' ' 714' ' ' GLN . . . 72.66 -27.8 0.19 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.982 0.913 . . . . 5.98 112.281 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 645' ' ' LEU . . . . . 0.401 ' H ' ' C ' ' A' ' 643' ' ' THR . 90.8 mt -86.89 -31.6 20.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.532 -0.304 . . . . 8.01 111.086 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -71.77 151.04 43.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.027 0.442 . . . . 8.8 110.271 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 38.9 tpp -112.84 95.95 5.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.803 -0.635 . . . . 12.08 110.126 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.8 p -83.99 70.23 10.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.233 0.54 . . . . 10.68 111.09 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -92.6 67.75 4.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.684 -0.689 . . . . 13.39 109.568 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 650' ' ' CYS . . . . . 0.408 ' CB ' ' HD2' ' A' ' 707' ' ' ARG . 35.7 m -135.65 132.43 37.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.506 -0.77 . . . . 12.15 110.612 -176.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -82.14 152.76 26.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.861 -0.422 . . . . 13.19 109.861 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 652' ' ' GLU . . . . . 0.437 ' HG3' HD21 ' A' ' 708' ' ' LEU . 80.0 mm-40 -108.67 19.55 19.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.108 0.48 . . . . 15.45 110.303 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -93.16 -55.57 1.58 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.724 -0.75 . . . . 13.46 112.503 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -59.34 -39.54 94.86 Favored Glycine 0 C--N 1.328 0.118 0 C-N-CA 121.275 -0.488 . . . . 12.43 112.946 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.491 ' CD ' HH22 ' A' ' 707' ' ' ARG . 35.5 tt0 -75.87 86.58 2.84 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.246 0.546 . . . . 10.98 110.226 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -79.97 81.79 6.17 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.641 -0.709 . . . . 11.8 109.355 177.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -83.9 151.63 24.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.342 -0.844 . . . . 7.39 110.669 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -81.48 47.81 3.7 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.566 -0.614 . . . . 5.88 111.566 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -72.85 164.55 26.44 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.373 -0.414 . . . . 3.98 111.344 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -57.58 125.92 25.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.571 -0.74 . . . . 6.1 110.479 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.39 -21.72 66.73 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.205 -0.452 . . . . 3.86 110.962 -173.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -114.43 88.1 15.08 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.443 -0.577 . . . . 3.19 109.443 169.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -79.94 120.62 4.27 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.012 1.808 . . . . 0.97 112.073 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 664' ' ' ARG . . . . . 0.466 ' O ' HD13 ' A' ' 668' ' ' LEU . 18.7 ptt180 -79.13 -27.53 42.84 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.361 -0.535 . . . . 3.16 111.086 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -63.32 -35.14 79.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.601 0.239 . . . . 0.81 111.371 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 55.7 mtt -71.76 -33.18 68.43 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.931 -0.308 . . . . 1.17 110.428 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 667' ' ' MET . . . . . 0.455 ' HG3' ' NH2' ' A' ' 670' ' ' ARG . 56.7 ttp -70.56 -45.06 66.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.045 0.45 . . . . 1.2 109.922 177.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.466 HD13 ' O ' ' A' ' 664' ' ' ARG . 10.9 mp -62.7 -36.16 82.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.82 110.552 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.98 -34.42 59.78 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.054 -0.35 . . . . 0.23 110.054 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 670' ' ' ARG . . . . . 0.455 ' NH2' ' HG3' ' A' ' 667' ' ' MET . 50.9 ttp180 -63.68 -45.32 90.64 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.96 -0.564 . . . . 3.33 109.77 175.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.51 -44.78 95.52 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.478 -0.783 . . . . 1.89 109.008 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.2 91.02 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.333 -0.848 . . . . 0.23 111.46 177.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.91 -40.03 94.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.982 0.42 . . . . 1.76 110.64 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 87.8 mtp -72.5 -28.45 62.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.139 -0.482 . . . . 0.79 110.643 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.657 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 29.6 mt -84.73 -17.14 39.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.628 -0.26 . . . . 0.53 111.594 178.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -76.03 -43.15 45.4 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.696 -0.402 . . . . 0.82 110.521 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 37.9 p -90.92 -33.21 15.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.929 0.395 . . . . 1.45 110.93 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 82.22 -166.32 46.01 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.849 -0.614 . . . . 1.4 112.133 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 94.85 153.26 30.12 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 121.082 -0.58 . . . . 2.07 112.732 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 54.79 43.23 30.38 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.92 0.488 . . . . 5.05 111.972 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 103.07 -21.13 40.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.792 -0.718 . . . . 1.41 112.651 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.24 129.62 37.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.954 0.406 . . . . 1.38 110.487 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -89.49 118.71 29.34 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.457 -0.572 . . . . 2.83 109.457 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 684' ' ' LYS . . . . . 0.657 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 19.0 ptmt -67.66 118.83 11.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.552 0.691 . . . . 1.72 110.429 -177.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -143.36 98.84 5.41 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.42 -0.809 . . . . 1.68 110.302 -176.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.95 -32.88 59.58 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.245 2.63 . . . . 0.42 113.547 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -68.66 -51.14 45.21 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.746 -0.465 . . . . 2.21 109.746 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -63.51 -37.68 88.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.719 -0.673 . . . . 3.24 109.234 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 18.3 m -56.77 -50.25 72.86 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.904 -1.044 . . . . 1.11 110.883 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.66 -33.88 77.13 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.278 -0.963 . . . . 0.19 112.122 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 3.7 m-20 -60.96 -46.8 89.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 1.54 110.013 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 41.5 mt -69.43 -37.0 77.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.272 -0.422 . . . . 1.35 111.28 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -65.0 -38.48 91.11 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.954 -0.298 . . . . 1.33 111.221 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 12.7 p -72.43 -38.95 68.21 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.717 -0.393 . . . . 0.31 110.479 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 695' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 79.2 mt-30 -63.34 -43.37 97.91 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.296 0.57 . . . . 2.13 109.515 175.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.18 95.0 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.387 -0.824 . . . . 0.18 110.823 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.47 93.53 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.873 0.368 . . . . 0.2 110.7 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -60.53 -45.57 93.37 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.873 -0.603 . . . . 1.84 109.781 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.15 69.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.21 111.042 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -69.53 -48.25 61.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.999 -0.546 . . . . 0.16 110.785 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 701' ' ' MET . . . . . 0.457 ' HB3' ' CB ' ' A' ' 709' ' ' ALA . 25.9 ptt? -72.08 -25.14 61.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.342 -0.39 . . . . 0.76 110.686 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.59 -29.31 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.171 0.51 . . . . 2.58 109.878 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -90.45 20.24 4.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.918 -0.583 . . . . 0.45 111.055 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 704' ' ' MET . . . . . 0.556 ' SD ' ' HB2' ' A' ' 631' ' ' CYS . 47.5 tpp 69.47 -2.84 1.77 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.521 0.677 . . . . 2.61 111.321 177.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -87.1 53.24 2.76 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.457 -0.571 . . . . 1.59 109.457 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 706' ' ' GLY . . . . . 0.58 ' HA3' ' CD2' ' A' ' 634' ' ' TRP . . . -60.7 -24.7 62.54 Favored Glycine 0 C--O 1.226 -0.349 0 CA-C-N 115.483 -0.781 . . . . 0.47 113.567 -176.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 707' ' ' ARG . . . . . 0.491 HH22 ' CD ' ' A' ' 655' ' ' GLU . 41.4 ttp180 -62.63 -45.45 92.79 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.721 -0.474 . . . . 3.9 109.721 175.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 708' ' ' LEU . . . . . 0.437 HD21 ' HG3' ' A' ' 652' ' ' GLU . 19.8 mt -60.36 -44.12 95.87 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.753 -0.658 . . . . 1.02 109.839 173.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 709' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 701' ' ' MET . . . -55.45 -54.09 48.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.341 -0.845 . . . . 0.21 111.175 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -57.3 -43.81 83.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 1.6 110.536 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -57.73 -52.76 64.13 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.681 0.277 . . . . 1.83 111.197 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -61.16 -30.54 70.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.793 0.294 . . . . 0.44 111.793 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.51 -41.27 76.27 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.28 0.562 . . . . 2.95 109.864 173.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 714' ' ' GLN . . . . . 0.424 ' HA ' ' H ' ' A' ' 644' ' ' ALA . 1.0 OUTLIER -62.28 -31.05 71.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.445 -0.798 . . . . 1.98 109.378 176.2 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -82.32 -37.27 26.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.229 -0.896 . . . . 1.67 108.83 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -61.63 -45.44 94.05 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.154 -0.475 . . . . 0.25 110.195 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 717' ' ' GLU . . . . . 0.51 ' HB2' ' HB ' ' A' ' 643' ' ' THR . 8.0 tp10 -63.26 -42.04 99.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.759 -0.655 . . . . 2.16 109.61 178.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.4 -43.79 92.91 Favored 'General case' 0 C--N 1.335 -0.053 0 CA-C-N 116.199 -0.455 . . . . 2.2 110.743 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.08 -51.27 66.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.37 110.925 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 24.2 m0 -73.76 -25.97 60.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 0.47 112.044 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -74.62 -41.93 59.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.753 0.311 . . . . 0.64 111.527 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -85.24 -57.55 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.246 -0.434 . . . . 2.38 110.531 -176.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 71.2 mtm 46.85 35.5 3.25 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.337 0.398 . . . . 2.42 112.035 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -169.21 77.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.373 0.606 . . . . 4.88 110.567 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--O 1.246 0.872 0 N-CA-C 108.492 -0.929 . . . . 5.52 108.492 176.156 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.683 -0.567 . . . . 15.53 111.683 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 624' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 656' ' ' TYR . 7.2 p -82.89 65.58 8.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.33 0.586 . . . . 14.35 111.157 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -80.61 -12.68 59.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.734 -0.666 . . . . 13.37 110.237 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.572 ' HB2' ' H ' ' A' ' 656' ' ' TYR . 83.9 mmm -127.79 73.03 1.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.996 -0.547 . . . . 13.3 110.525 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 52.1 p -71.22 138.5 84.4 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.862 -0.608 . . . . 9.26 109.483 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 628' ' ' PRO . . . . . 0.429 ' HG3' ' HB3' ' A' ' 704' ' ' MET . 67.1 Cg_endo -73.26 60.47 3.98 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.119 2.546 . . . . 7.14 112.48 -178.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -70.85 -32.53 69.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.836 -0.62 . . . . 7.07 109.602 177.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -82.76 43.42 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.465 -0.789 . . . . 8.95 110.21 174.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 4.2 p -60.21 -24.19 64.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 4.38 111.352 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -55.04 -27.75 46.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.463 -0.335 . . . . 4.67 111.401 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.31 -45.13 92.77 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.851 0.686 . . . . 5.22 112.851 -174.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 634' ' ' TRP . . . . . 0.42 ' HB3' ' CA ' ' A' ' 706' ' ' GLY . 54.4 p-90 -70.11 -29.38 66.32 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 119.683 -0.807 . . . . 3.28 111.535 -172.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.402 ' H ' HD12 ' A' ' 635' ' ' LEU . 6.2 mp -60.3 -47.05 87.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.412 -0.588 . . . . 3.12 109.412 174.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -73.42 -41.4 63.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.326 -0.852 . . . . 5.37 110.758 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 637' ' ' ALA . . . . . 0.593 ' O ' ' HB2' ' A' ' 641' ' ' TYR . . . -58.69 -43.87 90.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.065 -0.516 . . . . 2.89 111.222 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 9.5 mp -77.84 -11.37 59.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.791 0.329 . . . . 2.25 111.252 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -94.26 -39.54 10.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.576 -0.284 . . . . 5.62 111.276 -176.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -101.5 2.88 39.66 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.113 0.412 . . . . 7.07 112.113 -174.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 641' ' ' TYR . . . . . 0.593 ' HB2' ' O ' ' A' ' 637' ' ' ALA . 4.4 t80 -87.19 67.69 9.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.265 0.555 . . . . 5.5 110.126 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -93.2 -11.28 33.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.785 -0.643 . . . . 4.9 109.953 176.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.1 t -115.52 125.77 53.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.559 -0.746 . . . . 4.46 109.86 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -63.83 -23.05 67.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 5.98 111.704 -175.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.55 12.91 25.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.251 -0.431 . . . . 8.01 112.109 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 641' ' ' TYR . 0.1 OUTLIER -60.55 128.22 35.55 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.408 -0.59 . . . . 8.8 109.408 177.521 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 64.2 mtt -91.74 63.61 4.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.231 0.538 . . . . 12.08 110.387 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.73 78.03 9.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.717 -0.674 . . . . 10.68 110.324 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -88.63 74.22 8.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.259 0.552 . . . . 13.39 110.067 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 5.1 p -86.77 50.26 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.383 0.611 . . . . 12.15 110.748 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -107.25 122.53 46.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.922 -0.581 . . . . 13.19 111.386 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -126.46 42.37 3.32 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.342 -0.614 . . . . 15.45 109.342 175.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 92.46 43.92 4.15 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.573 -0.739 . . . . 13.46 111.772 -176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 78.79 -175.44 54.98 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 121.032 -0.604 . . . . 12.43 112.413 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -133.02 69.66 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.759 0.79 . . . . 10.98 109.484 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 656' ' ' TYR . . . . . 0.572 ' H ' ' HB2' ' A' ' 626' ' ' MET . 87.9 m-85 -85.01 106.47 16.53 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.098 -0.955 . . . . 11.8 110.9 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -144.96 136.53 25.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.049 -0.523 . . . . 7.39 110.335 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -99.41 68.15 0.58 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.049 -0.596 . . . . 5.88 112.363 -176.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.97 170.85 7.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.995 0.426 . . . . 3.98 111.213 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 661' ' ' ASP . 44.6 mt-30 -77.62 149.26 34.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.917 -0.583 . . . . 6.1 110.215 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 660' ' ' GLN . 14.9 m-20 72.31 146.81 0.08 Allowed 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.874 0.734 . . . . 3.86 111.2 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -65.07 144.59 99.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.692 -0.686 . . . . 3.19 109.188 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -69.76 113.53 3.4 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 120.455 0.77 . . . . 0.97 111.224 -176.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -85.46 -21.89 28.5 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.712 -0.676 . . . . 3.16 111.461 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -63.27 -24.92 68.08 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.81 111.179 -177.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 58.0 mtt -71.57 -37.33 71.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.105 0.479 . . . . 1.17 110.045 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 53.3 ttp -69.47 -44.36 71.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.002 -0.545 . . . . 1.2 109.561 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.7 -33.05 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.724 -0.671 . . . . 0.82 110.926 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.39 -32.38 54.79 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 110.061 -0.348 . . . . 0.23 110.061 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -63.44 -42.66 98.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.196 0.522 . . . . 3.33 109.628 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -64.2 -46.9 81.86 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.874 -0.788 . . . . 1.89 108.874 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' A' ' 692' ' ' LEU . . . -56.65 -40.74 75.99 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.385 -0.825 . . . . 0.23 111.136 176.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -62.46 -44.02 97.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 1.76 110.073 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.1 mtm -67.95 -27.31 66.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.524 . . . . 0.79 111.071 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.9 mm? -85.05 -26.61 26.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.62 0.248 . . . . 0.53 111.109 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 676' ' ' PHE . . . . . 0.417 ' O ' ' HE2' ' A' ' 684' ' ' LYS . 50.2 t80 -81.5 -58.92 2.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.555 -0.293 . . . . 0.82 111.233 -177.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 19.6 p -89.68 -14.71 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.99 0.424 . . . . 1.45 111.467 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 82.2 168.78 42.33 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.878 -0.601 . . . . 1.4 112.363 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 114.93 173.73 17.95 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.643 -0.789 . . . . 2.07 111.996 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 56.69 27.77 13.13 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.885 0.474 . . . . 5.05 111.83 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 92.23 -4.41 77.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.597 -0.811 . . . . 1.41 112.768 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -96.19 134.88 38.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.681 0.277 . . . . 1.38 110.616 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -92.88 133.11 36.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.069 -0.715 . . . . 2.83 109.069 173.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 684' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 14.6 ptmm? -69.2 134.4 49.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.289 0.566 . . . . 1.72 111.421 -173.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -147.9 106.34 3.68 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.356 -0.838 . . . . 1.68 109.485 177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -52.42 -30.84 45.37 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.211 2.608 . . . . 0.42 113.763 -176.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 687' ' ' GLN . . . . . 0.453 ' HA ' ' HE1' ' A' ' 720' ' ' TRP . 20.5 tm0? -72.26 -50.15 29.48 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.835 -0.431 . . . . 2.21 109.835 -177.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -68.58 -31.84 71.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.448 -0.575 . . . . 3.24 109.448 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 20.1 m -54.85 -51.12 66.91 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.443 -0.799 . . . . 1.11 110.124 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.5 -32.88 75.72 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.261 -0.971 . . . . 0.19 112.077 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -59.17 -51.27 70.72 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.089 0.471 . . . . 1.54 109.742 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 692' ' ' LEU . . . . . 0.517 ' HB3' ' HB2' ' A' ' 672' ' ' ALA . 3.2 mm? -69.5 -34.49 74.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 1.35 111.364 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 693' ' ' TYR . . . . . 0.422 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 10.1 m-85 -68.5 -39.1 81.4 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.809 -0.356 . . . . 1.33 111.333 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 13.2 p -71.65 -37.22 70.85 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.621 -0.432 . . . . 0.31 110.085 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -67.3 -37.71 83.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 2.13 110.12 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -63.46 -38.91 92.97 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.306 -0.406 . . . . 0.18 110.605 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.9 -36.0 79.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.925 0.393 . . . . 0.2 110.037 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.8 -45.77 92.4 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.786 -0.643 . . . . 1.84 109.9 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.8 -28.85 67.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.181 0.515 . . . . 0.21 110.684 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.63 -48.88 52.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.831 -0.622 . . . . 0.16 110.283 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -70.19 -25.25 63.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.76 110.23 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.96 -42.94 89.27 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.305 0.574 . . . . 2.58 109.87 171.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -82.43 17.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.46 -0.791 . . . . 0.45 111.13 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 704' ' ' MET . . . . . 0.429 ' HB3' ' HG3' ' A' ' 628' ' ' PRO . 98.1 mmm 57.61 44.62 20.54 Favored 'General case' 0 CA--C 1.523 -0.084 0 CA-C-N 115.746 -0.661 . . . . 2.61 110.505 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -122.23 78.02 1.45 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.491 -0.777 . . . . 1.59 109.633 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 706' ' ' GLY . . . . . 0.42 ' CA ' ' HB3' ' A' ' 634' ' ' TRP . . . -64.12 -40.16 97.83 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.397 -0.82 . . . . 0.47 113.495 -175.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -66.51 -43.43 85.27 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 117.262 0.531 . . . . 3.9 110.492 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.11 -45.46 94.59 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.004 -0.544 . . . . 1.02 109.857 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -56.74 -46.96 81.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.284 -0.871 . . . . 0.21 110.789 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -58.45 -50.1 74.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 1.6 110.872 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 711' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 714' ' ' GLN . 59.4 tt0 -59.43 -54.55 45.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.78 0.324 . . . . 1.83 111.697 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -62.13 -32.12 72.67 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.652 -0.419 . . . . 0.44 111.557 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -71.26 -36.37 71.72 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.277 -0.638 . . . . 2.95 109.277 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 714' ' ' GLN . . . . . 0.46 ' HB3' ' O ' ' A' ' 711' ' ' GLN . 25.6 tt0 -60.49 -35.18 75.32 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.535 -0.757 . . . . 1.98 110.377 173.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -81.98 -30.24 31.72 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.882 -0.784 . . . . 1.67 108.882 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.54 -51.45 59.8 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.033 -0.53 . . . . 0.25 110.229 173.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -58.33 -46.04 86.94 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.564 -0.743 . . . . 2.16 110.113 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.64 -41.16 97.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 2.2 110.758 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.16 -53.5 57.39 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.438 -0.346 . . . . 0.37 110.916 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 720' ' ' TRP . . . . . 0.453 ' HE1' ' HA ' ' A' ' 687' ' ' GLN . 22.4 m0 -70.08 -35.39 74.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.449 -0.341 . . . . 0.47 111.425 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -68.64 -36.91 79.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.684 -0.234 . . . . 0.64 111.478 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -85.83 -60.68 1.95 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.396 -0.522 . . . . 2.38 111.35 -177.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 69.3 mtm 35.48 44.78 0.2 Allowed 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.756 0.66 . . . . 2.42 111.894 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -164.58 76.97 0.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.465 0.65 . . . . 4.88 109.816 -173.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 725' ' ' GLU . . . . . 0.452 ' HG2' ' OXT' ' A' ' 725' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.034 -0.984 . . . . 5.52 110.151 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 111.985 -0.446 . . . . 15.53 111.985 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 15.1 m -75.99 124.24 27.05 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.916 0.388 . . . . 14.35 110.568 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -107.73 105.06 14.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.326 0.584 . . . . 13.37 110.024 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 96.1 mmm -82.61 71.51 9.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.08 -0.509 . . . . 13.3 110.403 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 15.4 m -62.7 133.99 95.19 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.963 -0.562 . . . . 9.26 109.664 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 628' ' ' PRO . . . . . 0.433 ' HB3' ' HG3' ' A' ' 655' ' ' GLU . 58.2 Cg_endo -72.82 69.81 3.62 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.043 2.495 . . . . 7.14 113.313 -174.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -71.7 -36.47 70.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.846 -0.616 . . . . 7.07 109.803 175.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -105.24 89.08 3.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.59 -0.732 . . . . 8.95 109.608 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 2.0 p -125.79 57.74 1.35 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.083 -0.508 . . . . 4.38 110.801 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -133.25 11.19 4.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 4.67 111.746 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -95.98 -20.13 18.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.078 0.466 . . . . 5.22 110.879 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 634' ' ' TRP . . . . . . . . . . . . . 41.6 p-90 -65.93 -17.49 64.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.694 -0.685 . . . . 3.28 110.999 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.42 -25.85 62.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 3.12 111.036 177.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 639' ' ' HIS . 13.6 tp10 -66.15 -32.57 74.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.103 0.477 . . . . 5.37 110.278 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -68.63 -40.42 80.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.369 0.604 . . . . 2.89 110.226 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.416 HD21 ' CE2' ' A' ' 713' ' ' TYR . 10.3 mp -77.04 -10.55 59.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.709 -0.678 . . . . 2.25 111.083 176.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 639' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 636' ' ' GLU . 16.3 t-160 -69.93 -38.02 76.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.985 -0.552 . . . . 5.62 111.022 -176.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 11.9 p-90 -98.82 -29.64 12.86 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.462 -0.495 . . . . 7.07 111.713 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 58.7 -170.2 0.12 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.178 0.436 . . . . 5.5 112.178 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 8.0 t30 59.49 75.17 0.41 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.61 0.719 . . . . 4.9 110.1 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 7.3 t -147.11 58.76 1.17 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.367 -0.833 . . . . 4.46 110.359 -175.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -79.3 -51.8 8.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.726 -0.67 . . . . 5.98 111.396 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 81.9 mt -96.94 -27.64 14.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.089 0.471 . . . . 8.01 110.496 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -77.7 149.62 34.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.868 -0.789 . . . . 8.8 108.868 174.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 50.3 tpp -109.12 131.03 55.46 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.856 0.36 . . . . 12.08 110.795 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 11.3 p -93.26 76.97 4.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.147 -0.479 . . . . 10.68 110.755 176.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -77.11 72.03 3.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 13.39 111.254 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 11.6 p -88.26 29.25 0.98 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.551 0.691 . . . . 12.15 109.964 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -77.71 91.29 4.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.089 -0.959 . . . . 13.19 110.38 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -135.46 47.63 2.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.913 -0.585 . . . . 15.45 110.175 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -153.76 -68.46 0.01 OUTLIER Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.872 -0.68 . . . . 13.46 112.089 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 141.91 -45.23 0.95 Allowed Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.943 -0.863 . . . . 12.43 110.943 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.433 ' HG3' ' HB3' ' A' ' 628' ' ' PRO . 4.5 mp0 55.04 46.38 24.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 114.934 -0.633 . . . . 10.98 111.82 172.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -96.64 96.26 8.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.717 -0.674 . . . . 11.8 109.428 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -131.25 -67.82 0.69 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.802 -0.635 . . . . 7.39 110.084 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 61.65 56.21 24.31 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.829 -0.623 . . . . 5.88 112.369 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.31 89.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.967 0.413 . . . . 3.98 110.6 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -88.38 51.35 2.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.78 0.8 . . . . 6.1 110.141 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -104.41 -91.08 0.38 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.234 -1.024 . . . . 3.86 108.234 175.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 662' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 662' ' ' GLU . 10.9 pt-20 -128.86 84.67 62.39 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.016 0.436 . . . . 3.19 110.673 165.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -81.28 116.57 3.04 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 121.218 1.278 . . . . 0.97 111.073 172.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 664' ' ' ARG . . . . . 0.452 ' HD2' HH11 ' A' ' 664' ' ' ARG . 7.5 ptp180 -83.13 -25.51 31.86 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.463 -0.495 . . . . 3.16 111.17 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 665' ' ' TYR . . . . . 0.472 ' CE2' ' HG3' ' A' ' 666' ' ' MET . 32.2 p90 -66.51 -29.53 69.65 Favored 'General case' 0 C--O 1.227 -0.096 0 C-N-CA 121.053 -0.259 . . . . 0.81 110.868 -176.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.472 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 67.4 mtt -70.7 -37.05 73.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.96 0.409 . . . . 1.17 109.959 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 58.7 ttp -69.6 -46.79 65.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.693 -0.685 . . . . 1.2 109.758 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.14 -35.42 81.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.537 -0.756 . . . . 0.82 110.965 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.63 -32.27 57.92 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.842 0.353 . . . . 0.23 110.322 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -64.71 -42.24 95.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.747 -0.464 . . . . 3.33 109.747 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -65.63 -44.88 85.08 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.872 -0.604 . . . . 1.89 109.416 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 692' ' ' LEU . . . -53.8 -43.52 69.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.99 -0.55 . . . . 0.23 111.616 175.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.07 -37.7 86.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.957 0.408 . . . . 1.76 110.13 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.4 mtm -73.18 -22.88 60.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.79 110.813 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.33 -13.71 45.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.107 0.479 . . . . 0.53 110.082 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 676' ' ' PHE . . . . . 0.448 ' CZ ' ' HG2' ' A' ' 722' ' ' GLN . 38.3 t80 -75.98 -59.09 2.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.829 -0.623 . . . . 0.82 111.474 -176.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.422 HG23 ' CD1' ' A' ' 676' ' ' PHE . 13.2 p -113.94 8.66 17.27 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.22 0.452 . . . . 1.45 112.22 -176.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 80.95 87.16 0.62 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.201 -1.0 . . . . 1.4 111.482 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -81.87 51.05 4.38 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.277 -0.487 . . . . 2.07 113.061 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 53.66 68.16 0.89 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.03 0.443 . . . . 5.05 111.469 176.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 138.7 -24.57 2.88 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.784 -0.722 . . . . 1.41 112.246 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -104.47 131.21 52.11 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.089 -0.337 . . . . 1.38 110.089 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.29 114.68 5.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.958 -0.565 . . . . 2.83 110.401 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 684' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -57.99 121.63 11.04 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.221 0.534 . . . . 1.72 110.311 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -153.72 97.27 2.71 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 115.392 -0.822 . . . . 1.68 109.649 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.71 -28.81 31.19 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.138 2.559 . . . . 0.42 113.325 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -67.51 -51.26 53.14 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 110.092 -0.336 . . . . 2.21 110.092 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -69.43 -32.61 71.68 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.728 -0.471 . . . . 3.24 109.728 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 17.3 t -54.69 -49.97 69.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.001 -0.545 . . . . 1.11 110.133 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -71.45 -29.48 68.03 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.359 -0.924 . . . . 0.19 111.713 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.99 -39.29 93.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.288 0.566 . . . . 1.54 109.805 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 692' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 672' ' ' ALA . 3.8 mm? -76.61 -35.59 58.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.005 -0.543 . . . . 1.35 111.065 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -66.32 -36.32 82.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.714 0.292 . . . . 1.33 111.072 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 17.4 p -71.99 -37.23 69.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.844 0.354 . . . . 0.31 110.241 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.51 -42.89 86.64 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.179 -0.464 . . . . 2.13 110.023 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.56 87.32 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.829 -0.623 . . . . 0.18 110.727 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.63 -36.38 82.45 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 120.776 0.322 . . . . 0.2 110.826 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.7 -40.84 98.39 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.258 -0.428 . . . . 1.84 110.129 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -71.78 -28.71 63.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.925 -0.58 . . . . 0.21 110.559 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -71.65 -48.39 48.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.757 -0.656 . . . . 0.16 110.418 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -66.86 -27.6 67.66 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.027 -0.269 . . . . 0.76 110.576 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.85 -40.22 94.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.289 0.566 . . . . 2.58 109.754 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -91.45 23.73 3.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.426 -0.806 . . . . 0.45 111.576 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 83.5 mtp 58.41 39.72 24.95 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.254 0.55 . . . . 2.61 111.478 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -112.51 65.14 0.63 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.988 -0.551 . . . . 1.59 109.642 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -54.0 -58.27 13.33 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 115.685 -0.689 . . . . 0.47 114.512 -173.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 707' ' ' ARG . . . . . 0.419 ' HB3' ' HG2' ' A' ' 655' ' ' GLU . 58.7 ttp180 -58.46 -35.83 72.77 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 117.202 0.501 . . . . 3.9 110.997 -178.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.23 -46.55 76.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 1.02 109.958 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.23 -48.06 79.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.557 -0.747 . . . . 0.21 110.494 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.98 -46.17 88.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 1.6 110.805 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -57.52 -50.69 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.337 . . . . 1.83 110.952 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -62.97 -32.06 73.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.434 -0.348 . . . . 0.44 111.787 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 713' ' ' TYR . . . . . 0.416 ' CE2' HD21 ' A' ' 638' ' ' LEU . 19.3 m-85 -69.45 -40.96 76.86 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.093 0.473 . . . . 2.95 109.971 171.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -60.31 -33.19 72.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.442 -0.799 . . . . 1.98 110.36 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -85.28 -27.73 25.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.519 -0.764 . . . . 1.67 109.123 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.08 87.65 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.967 -0.56 . . . . 0.25 110.099 172.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -58.26 -48.88 79.05 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.925 -0.579 . . . . 2.16 110.312 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -59.72 -44.15 93.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.701 -0.681 . . . . 2.2 110.365 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.72 -45.74 81.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.496 -0.32 . . . . 0.37 111.517 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -71.22 -22.68 61.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.855 0.36 . . . . 0.47 111.313 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -78.93 -29.63 44.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.437 0.636 . . . . 0.64 110.074 174.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 722' ' ' GLN . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 676' ' ' PHE . 7.7 tp-100 -79.7 12.58 2.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.281 -0.872 . . . . 2.38 112.133 -176.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 70.2 mtm -60.76 -5.73 1.42 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.941 0.401 . . . . 2.42 111.751 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.75 -13.4 60.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.169 -0.468 . . . . 4.88 110.94 173.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.569 -0.729 . . . . 5.52 110.391 179.498 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.854 -0.498 . . . . 15.53 111.854 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 32.5 t -145.46 149.36 34.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.806 0.336 . . . . 14.35 110.253 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 625' ' ' HIS . . . . . 0.428 ' HB3' ' O ' ' A' ' 653' ' ' GLY . 20.8 t-80 -144.39 -44.91 0.25 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.168 -0.679 . . . . 13.37 109.168 177.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.534 ' O ' ' HA ' ' A' ' 655' ' ' GLU . 46.2 tpp -111.75 144.48 40.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.407 -0.815 . . . . 13.3 108.946 171.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 21.3 m -153.48 147.43 18.67 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.945 -0.391 . . . . 9.26 109.945 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 628' ' ' PRO . . . . . 0.527 ' HB2' ' SG ' ' A' ' 631' ' ' CYS . 56.9 Cg_endo -72.63 71.18 3.28 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.473 2.115 . . . . 7.14 110.915 171.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -67.05 -23.03 65.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.314 -0.857 . . . . 7.07 111.352 -175.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -144.28 87.13 1.86 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.214 0.53 . . . . 8.95 110.996 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 631' ' ' CYS . . . . . 0.527 ' SG ' ' HB2' ' A' ' 628' ' ' PRO . 98.2 m -80.78 81.37 7.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.935 -0.575 . . . . 4.38 110.658 176.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -135.04 -77.34 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.515 . . . . 4.67 110.97 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.11 -32.17 73.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.994 -0.548 . . . . 5.22 111.82 -173.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 634' ' ' TRP . . . . . 0.574 ' CH2' ' HA2' ' A' ' 706' ' ' GLY . 30.3 p-90 -70.77 -20.26 62.63 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.5 -0.48 . . . . 3.28 111.116 -173.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.04 -44.38 69.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.351 0.596 . . . . 3.12 109.517 175.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.24 -41.85 80.58 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.26 -0.882 . . . . 5.37 109.846 176.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 637' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 634' ' ' TRP . . . -61.7 -34.91 76.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.307 -0.86 . . . . 2.89 110.883 177.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.481 ' HA ' ' HB2' ' A' ' 641' ' ' TYR . 28.2 tp -62.84 -28.74 70.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 2.25 110.964 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -73.8 -27.24 61.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.218 0.532 . . . . 5.62 109.929 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 49.6 t-105 -96.28 2.14 52.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.788 0.804 . . . . 7.07 109.591 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 641' ' ' TYR . . . . . 0.481 ' HB2' ' HA ' ' A' ' 638' ' ' LEU . 22.2 t80 -80.17 60.1 3.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.374 -0.83 . . . . 5.5 110.162 -174.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 642' ' ' ASN . . . . . 0.415 ' HA ' ' OE1' ' A' ' 717' ' ' GLU . 19.6 m120 -80.32 49.04 1.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.232 -0.894 . . . . 4.9 110.48 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 30.0 p -88.21 100.98 13.39 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.366 -0.833 . . . . 4.46 110.157 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -90.6 -60.4 1.93 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.414 -0.357 . . . . 5.98 110.904 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 92.4 mt -119.9 38.76 3.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.271 0.558 . . . . 8.01 110.611 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -86.59 140.01 30.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.738 -0.664 . . . . 8.8 110.327 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 32.8 tpp -66.46 113.47 4.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.925 -0.579 . . . . 12.08 110.442 178.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 6.4 m -66.75 95.88 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.892 -0.595 . . . . 10.68 110.58 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -108.64 54.64 0.65 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.689 0.757 . . . . 13.39 110.006 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 5.1 p -134.36 81.6 1.92 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.465 -0.788 . . . . 12.15 109.21 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.46 132.56 44.77 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.308 -0.86 . . . . 13.19 111.301 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.61 70.52 6.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.717 -0.674 . . . . 15.45 110.43 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 653' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 625' ' ' HIS . . . -78.8 59.92 4.16 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.143 -0.551 . . . . 13.46 112.532 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 65.74 71.58 0.87 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 121.524 -0.37 . . . . 12.43 113.221 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.534 ' HA ' ' O ' ' A' ' 626' ' ' MET . 32.3 tt0 -89.81 92.27 8.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.226 0.536 . . . . 10.98 109.835 176.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -102.63 120.82 41.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.775 -0.648 . . . . 11.8 110.541 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -99.58 -46.8 5.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.803 -0.635 . . . . 7.39 111.21 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 142.83 -33.95 1.82 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.013 -0.613 . . . . 5.88 112.505 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 659' ' ' MET . . . . . 0.4 ' HG2' ' HB1' ' A' ' 703' ' ' ALA . 10.7 tpt -63.58 107.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.993 0.425 . . . . 3.98 111.332 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 660' ' ' GLN . 40.1 tt0 -123.65 19.9 9.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.584 0.707 . . . . 6.1 109.797 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -89.07 -174.31 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.302 -0.629 . . . . 3.86 109.302 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -58.35 107.89 1.11 Allowed Pre-proline 0 N--CA 1.465 0.299 0 N-CA-C 111.803 0.298 . . . . 3.19 111.803 -176.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.74 120.86 3.97 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.227 1.951 . . . . 0.97 112.62 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -80.1 -39.2 30.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.318 0.58 . . . . 3.16 110.334 174.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 665' ' ' TYR . . . . . 0.61 ' OH ' ' HE3' ' A' ' 705' ' ' LYS . 28.7 p90 -59.29 -27.39 65.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.02 -0.991 . . . . 0.81 112.198 -171.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 67.9 mtt -72.25 -42.84 65.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.77 0.319 . . . . 1.17 110.414 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -70.23 -43.6 70.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.857 -0.794 . . . . 1.2 108.857 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.9 mp -60.23 -41.73 93.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.529 -0.76 . . . . 0.82 110.895 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.77 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.747 0.308 . . . . 0.23 110.525 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -65.42 -41.98 92.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.26 -0.427 . . . . 3.33 109.929 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.24 -41.59 76.79 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.553 -0.536 . . . . 1.89 109.553 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.46 70.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.931 0.396 . . . . 0.23 110.92 174.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -68.53 -37.14 79.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 1.76 110.149 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.7 mtm -73.09 -17.03 61.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.79 110.405 176.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.616 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.1 mm? -86.73 -29.57 22.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.16 -0.473 . . . . 0.53 110.107 174.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 676' ' ' PHE . . . . . 0.428 ' O ' ' HE3' ' A' ' 684' ' ' LYS . 16.1 t80 -87.45 -54.73 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.5 -0.318 . . . . 0.82 111.422 -177.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 59.9 p -96.68 5.05 51.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.91 0.386 . . . . 1.45 111.584 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 88.04 162.46 38.1 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.361 -0.923 . . . . 1.4 111.067 -176.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -163.74 -175.48 34.7 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.131 -1.033 . . . . 2.07 112.578 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -72.25 84.0 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 5.05 110.665 -177.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 96.98 6.8 57.81 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.946 -0.645 . . . . 1.41 112.052 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.1 122.44 47.75 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.373 -0.232 . . . . 1.38 110.373 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.51 138.09 33.58 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.613 -0.514 . . . . 2.83 109.613 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 684' ' ' LYS . . . . . 0.616 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 19.9 ptmt -72.64 127.55 32.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.484 0.659 . . . . 1.72 111.21 -176.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -144.59 98.48 4.92 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.023 -0.99 . . . . 1.68 109.259 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -52.16 -31.18 44.36 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.145 2.563 . . . . 0.42 113.435 -175.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -67.12 -55.18 15.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.705 0.288 . . . . 2.21 110.593 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 688' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' A' ' 688' ' ' ARG . 0.9 OUTLIER -68.55 -30.4 69.18 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.264 -0.643 . . . . 3.24 109.264 -178.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 29.0 m -54.79 -51.5 65.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.841 -0.618 . . . . 1.11 110.405 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.24 -35.45 82.89 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.352 -0.928 . . . . 0.19 112.023 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.576 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 2.0 m-20 -61.86 -47.93 82.78 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.946 -0.302 . . . . 1.54 110.322 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 692' ' ' LEU . . . . . 0.435 HD22 ' CZ ' ' A' ' 688' ' ' ARG . 23.7 tp -74.52 -32.0 62.34 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.633 -0.427 . . . . 1.35 110.861 -178.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -66.37 -35.84 81.35 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 120.888 -0.325 . . . . 1.33 110.8 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 9.8 p -75.53 -33.21 60.69 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.648 -0.421 . . . . 0.31 110.418 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 695' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 55.2 mt-30 -65.43 -41.02 93.98 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.126 -0.694 . . . . 2.13 109.126 172.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.75 94.0 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.573 -0.739 . . . . 0.18 110.807 175.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.22 85.77 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.623 0.249 . . . . 0.2 110.466 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -60.21 -49.99 75.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 1.84 109.837 175.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -64.92 -30.27 71.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.21 110.838 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.15 -53.16 18.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.54 . . . . 0.16 110.761 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -69.08 -25.59 64.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.848 0.356 . . . . 0.76 110.349 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.15 -32.91 69.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.394 0.616 . . . . 2.58 109.844 174.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.4 ' HB1' ' HG2' ' A' ' 659' ' ' MET . . . -89.91 18.21 5.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.508 -0.769 . . . . 0.45 111.086 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 7.1 tpt 67.11 23.32 9.65 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.894 -0.594 . . . . 2.61 111.018 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 705' ' ' LYS . . . . . 0.61 ' HE3' ' OH ' ' A' ' 665' ' ' TYR . 75.0 mmtt -102.07 76.25 1.58 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.05 -0.523 . . . . 1.59 110.474 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 706' ' ' GLY . . . . . 0.574 ' HA2' ' CH2' ' A' ' 634' ' ' TRP . . . -57.42 -50.42 65.02 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.256 -0.497 . . . . 0.47 113.353 -178.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 707' ' ' ARG . . . . . 0.442 ' NH2' ' HG2' ' A' ' 626' ' ' MET . 2.7 tpp180 -53.29 -50.25 65.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.086 0.47 . . . . 3.9 110.968 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.32 -45.93 91.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.508 -0.769 . . . . 1.02 110.579 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.56 89.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.21 110.986 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -61.49 -50.25 73.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 1.6 110.572 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 711' ' ' GLN . . . . . 0.431 ' OE1' ' HG3' ' A' ' 707' ' ' ARG . 25.5 mt-30 -56.7 -56.19 24.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 1.83 111.504 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -61.38 -33.08 73.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.289 -0.414 . . . . 0.44 111.851 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -71.4 -41.03 70.12 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.395 -0.522 . . . . 2.95 109.627 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -64.57 -25.41 67.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.631 0.729 . . . . 1.98 109.97 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -86.02 -32.05 21.67 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.423 -0.808 . . . . 1.67 108.983 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.23 -46.18 84.96 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.844 -0.616 . . . . 0.25 110.051 173.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 717' ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' A' ' 642' ' ' ASN . 7.0 mm-40 -62.44 -43.17 99.47 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.668 -0.697 . . . . 2.16 110.259 177.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.95 -44.86 87.23 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.085 -0.507 . . . . 2.2 110.683 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.31 -52.32 63.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.37 111.33 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -73.27 -32.63 64.78 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.996 0.369 . . . . 0.47 111.996 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -75.29 -37.92 60.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.364 0.505 . . . . 0.64 112.364 -177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -69.08 -61.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.674 0.249 . . . . 2.38 111.674 -173.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 62.2 mtm 30.54 55.38 0.19 Allowed 'General case' 0 N--CA 1.477 0.883 0 O-C-N 124.156 0.91 . . . . 2.42 113.03 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -144.13 -1.23 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.979 0.419 . . . . 4.88 111.101 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 C--N 1.319 -0.75 0 CA-C-O 118.628 -0.701 . . . . 5.52 109.947 -176.794 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 112.261 -0.336 . . . . 15.53 112.261 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 39.9 m -92.32 50.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.894 -0.18 . . . . 14.35 111.093 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 72.52 -52.17 0.7 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.318 0.647 . . . . 13.37 111.277 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 16.3 tpt -165.31 125.98 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.706 -0.479 . . . . 13.3 109.706 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 13.1 m -77.99 147.69 74.0 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.226 -0.443 . . . . 9.26 109.851 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 628' ' ' PRO . . . . . 0.51 ' HD3' ' O ' ' A' ' 656' ' ' TYR . 73.8 Cg_endo -74.74 56.32 4.06 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.144 2.562 . . . . 7.14 112.64 -175.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -83.61 -24.58 31.41 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.735 -0.666 . . . . 7.07 110.648 -177.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -119.87 20.39 12.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.418 -0.355 . . . . 8.95 111.743 -175.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 88.7 m -76.58 69.69 3.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.106 0.479 . . . . 4.38 110.235 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -121.02 1.36 10.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.97 -0.559 . . . . 4.67 110.811 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.01 -31.74 64.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 5.22 111.395 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 634' ' ' TRP . . . . . 0.523 ' HA ' ' SG ' ' A' ' 650' ' ' CYS . 67.3 p-90 -65.04 -25.08 67.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.104 0.478 . . . . 3.28 110.541 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 34.2 mt -62.48 -41.0 98.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.731 -0.668 . . . . 3.12 110.218 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -63.74 -43.03 97.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 5.37 110.08 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.78 -47.74 81.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.654 -0.703 . . . . 2.89 110.586 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.66 -32.5 74.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.386 -0.825 . . . . 2.25 111.576 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -81.05 -20.42 41.66 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.106 0.41 . . . . 5.62 112.106 -175.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -82.04 -38.66 24.64 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.775 -0.37 . . . . 7.07 111.693 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 54.4 t80 71.18 159.83 0.21 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 123.588 0.555 . . . . 5.5 110.452 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 58.9 43.75 17.61 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.128 0.571 . . . . 4.9 112.026 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 42.4 p -90.59 59.82 4.37 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.141 -0.481 . . . . 4.46 109.986 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -81.16 -72.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 5.98 111.514 -175.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 94.2 mt -93.49 -7.1 45.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.4 0.619 . . . . 8.01 110.007 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -78.42 111.38 14.38 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.228 -0.896 . . . . 8.8 109.734 175.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 647' ' ' MET . . . . . 0.438 ' HA ' ' NE2' ' A' ' 714' ' ' GLN . 15.7 tpt -82.41 94.84 7.49 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.151 0.501 . . . . 12.08 109.895 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.7 p -68.01 130.34 42.65 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.387 -0.824 . . . . 10.68 111.476 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.47 89.45 4.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.959 -0.564 . . . . 13.39 110.098 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 650' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' A' ' 634' ' ' TRP . 61.2 m -124.22 44.81 2.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.167 0.508 . . . . 12.15 110.945 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -155.82 121.57 4.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.566 -0.743 . . . . 13.19 110.061 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -92.34 64.01 4.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.079 0.466 . . . . 15.45 111.328 -177.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 70.98 48.9 30.54 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.863 -0.608 . . . . 13.46 112.982 175.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 72.39 70.44 1.22 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.963 -0.636 . . . . 12.43 112.623 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.446 ' OE1' ' HA ' ' A' ' 628' ' ' PRO . 13.6 tt0 -96.76 128.5 43.77 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.338 -0.616 . . . . 10.98 109.338 178.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 656' ' ' TYR . . . . . 0.51 ' O ' ' HD3' ' A' ' 628' ' ' PRO . 14.1 m-85 -84.0 108.67 17.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.16 -0.473 . . . . 11.8 111.028 -174.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 657' ' ' ASP . . . . . 0.458 ' HA ' ' HB3' ' A' ' 628' ' ' PRO . 12.6 p30 -79.62 40.46 0.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.442 -0.799 . . . . 7.39 112.667 -174.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 75.46 -72.21 1.73 Allowed Glycine 0 C--O 1.235 0.202 0 C-N-CA 121.27 -0.491 . . . . 5.88 112.97 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 16.5 tpt 67.32 102.14 0.05 OUTLIER 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.448 0.699 . . . . 3.98 112.339 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -82.89 155.69 23.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.626 -0.715 . . . . 6.1 109.951 173.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -76.08 -6.91 53.31 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.442 0.534 . . . . 3.86 112.442 -170.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -117.15 88.46 27.24 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 109.897 -0.408 . . . . 3.19 109.897 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.37 118.01 3.53 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.703 1.602 . . . . 0.97 112.648 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -82.33 -44.77 15.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.674 0.75 . . . . 3.16 110.966 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 665' ' ' TYR . . . . . 0.63 ' OH ' ' HE2' ' A' ' 705' ' ' LYS . 44.7 p90 -59.78 -28.98 67.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.01 -0.995 . . . . 0.81 111.795 -175.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.492 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 63.8 mtt -69.74 -32.92 71.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.62 0.247 . . . . 1.17 110.606 -177.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 58.9 ttp -70.8 -44.47 66.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.401 -0.592 . . . . 1.2 109.401 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.54 -36.3 83.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.474 -0.784 . . . . 0.82 110.733 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.59 -32.93 53.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.403 -0.362 . . . . 0.23 110.333 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 670' ' ' ARG . . . . . 0.533 ' O ' ' HG3' ' A' ' 674' ' ' MET . 34.4 ttm180 -65.2 -40.47 94.22 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.55 -0.537 . . . . 3.33 109.55 176.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -63.51 -48.2 78.56 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.979 -0.748 . . . . 1.89 108.979 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.9 -40.73 76.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.245 -0.888 . . . . 0.23 111.674 177.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -69.32 -33.49 73.23 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.266 -0.272 . . . . 1.76 110.266 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 674' ' ' MET . . . . . 0.533 ' HG3' ' O ' ' A' ' 670' ' ' ARG . 84.4 mtp -68.73 -30.76 69.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.431 -0.35 . . . . 0.79 110.257 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.595 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.9 mm? -77.58 -35.63 52.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.53 110.993 175.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -73.99 -48.81 27.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.128 -0.487 . . . . 0.82 111.258 -175.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 64.0 p -85.31 -20.76 29.51 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.801 0.297 . . . . 1.45 111.801 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 75.04 -166.27 54.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.797 -0.716 . . . . 1.4 111.527 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 157.88 -164.1 33.04 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.508 -0.853 . . . . 2.07 112.245 177.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -75.7 85.12 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.875 0.369 . . . . 5.05 110.332 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 125.12 -23.49 6.13 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.575 -0.822 . . . . 1.41 112.179 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.3 120.7 43.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.775 0.322 . . . . 1.38 110.162 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -86.12 120.67 27.74 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.077 -0.712 . . . . 2.83 109.077 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 684' ' ' LYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 14.9 ptmm? -59.85 124.58 20.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.228 0.537 . . . . 1.72 111.036 -177.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -141.76 102.29 5.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.698 -0.683 . . . . 1.68 110.174 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.82 -30.07 66.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.954 2.436 . . . . 0.42 113.13 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -67.57 -54.32 20.87 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.917 -0.401 . . . . 2.21 109.917 -176.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -70.13 -31.47 69.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.991 -0.374 . . . . 3.24 109.991 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 45.2 m -55.98 -47.32 77.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.11 110.234 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.1 -32.47 72.9 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.252 -0.975 . . . . 0.19 111.852 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 33.1 t70 -63.38 -44.79 93.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.238 0.542 . . . . 1.54 110.2 178.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 50.2 mt -72.03 -35.8 69.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.988 -0.551 . . . . 1.35 110.986 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -70.14 -33.68 72.1 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.023 -0.271 . . . . 1.33 111.298 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 5.3 p -70.89 -37.15 73.0 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.572 -0.451 . . . . 0.31 110.115 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 695' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 75.8 mt-30 -66.17 -41.31 90.49 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.217 -0.447 . . . . 2.13 109.816 174.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.3 97.29 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.18 111.138 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.85 -35.9 81.1 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.2 110.222 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.52 -48.81 80.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.812 -0.631 . . . . 1.84 109.957 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -66.62 -28.32 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 0.21 110.913 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -74.3 -51.2 15.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 0.16 110.678 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 701' ' ' MET . . . . . 0.415 ' HB2' ' CH2' ' A' ' 634' ' ' TRP . 25.3 ptt? -63.62 -35.02 79.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.76 110.199 -178.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -70.72 -28.75 64.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.906 -0.588 . . . . 2.58 109.947 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -92.06 21.04 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.799 -0.637 . . . . 0.45 111.407 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 44.8 ttm 71.59 4.45 5.05 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.191 0.519 . . . . 2.61 111.622 174.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 705' ' ' LYS . . . . . 0.63 ' HE2' ' OH ' ' A' ' 665' ' ' TYR . 30.5 mmmt -88.14 62.39 6.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.172 -0.467 . . . . 1.59 110.323 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -53.51 -47.54 62.96 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-N 115.942 -0.572 . . . . 0.47 114.216 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -64.29 -42.54 96.36 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 117.339 0.569 . . . . 3.9 110.826 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.48 -41.49 96.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.358 -0.383 . . . . 1.02 110.137 177.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.09 -47.1 81.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.794 -0.639 . . . . 0.21 110.612 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -58.64 -48.77 79.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.847 -0.615 . . . . 1.6 110.626 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -58.38 -54.31 48.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.437 -0.347 . . . . 1.83 111.508 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -59.96 -33.12 71.5 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.099 -0.241 . . . . 0.44 111.129 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -71.03 -39.38 72.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.808 -0.441 . . . . 2.95 109.808 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 714' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' ' 647' ' ' MET . 34.5 tt0 -64.35 -26.25 68.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.855 -0.611 . . . . 1.98 110.116 176.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -85.43 -32.33 22.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.532 -0.758 . . . . 1.67 108.986 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.37 -49.3 69.85 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.789 -0.641 . . . . 0.25 109.999 174.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -60.87 -43.45 98.38 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.539 -0.755 . . . . 2.16 110.328 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.83 -42.71 89.87 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.404 -0.362 . . . . 2.2 110.63 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -58.65 -52.18 66.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.37 111.23 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 33.9 m0 -72.76 -39.91 66.42 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.722 0.267 . . . . 0.47 111.722 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -69.17 -32.56 71.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.768 0.285 . . . . 0.64 111.768 -176.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -87.88 -60.3 2.01 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.932 -0.707 . . . . 2.38 111.153 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 75.4 mtm 42.37 42.19 2.53 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.29 0.567 . . . . 2.42 111.08 -173.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -152.81 62.43 0.79 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.321 -0.854 . . . . 4.88 109.64 -174.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.568 -0.729 . . . . 5.52 109.95 -177.938 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 N-CA-C 111.652 -0.579 . . . . 15.53 111.652 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 69.3 m -80.12 64.97 5.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.36 0.6 . . . . 14.35 110.708 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -135.14 148.11 49.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.614 -0.721 . . . . 13.37 110.4 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -95.74 73.57 3.13 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.072 -0.714 . . . . 13.3 109.072 173.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.418 ' HA ' ' HD3' ' A' ' 628' ' ' PRO . 13.0 p -82.01 141.13 46.76 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.812 -0.631 . . . . 9.26 110.769 -176.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 628' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 627' ' ' SER . 17.1 Cg_exo -68.16 69.29 0.94 Allowed 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.033 2.489 . . . . 7.14 111.51 173.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -92.31 -31.23 15.46 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.66 -0.7 . . . . 7.07 111.0 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -120.08 56.78 0.95 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.14 0.495 . . . . 8.95 110.152 -176.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 631' ' ' CYS . . . . . 0.496 ' HB3' ' CZ2' ' A' ' 634' ' ' TRP . 76.4 m -71.63 -6.82 43.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 4.38 112.127 -177.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -58.65 -27.22 64.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.567 0.222 . . . . 4.67 110.851 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.31 -52.65 43.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.036 -0.529 . . . . 5.22 111.552 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 634' ' ' TRP . . . . . 0.625 ' CZ3' ' HB2' ' A' ' 701' ' ' MET . 51.3 p-90 -88.92 -34.39 16.94 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.923 -0.311 . . . . 3.28 111.438 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.33 -47.62 85.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 3.12 110.206 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -72.22 -39.25 68.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.036 -0.529 . . . . 5.37 110.048 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 637' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 641' ' ' TYR . . . -54.34 -52.8 60.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.865 -0.607 . . . . 2.89 111.361 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.36 -12.01 54.43 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.318 0.488 . . . . 2.25 112.318 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -75.8 -43.52 45.83 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.12 -0.326 . . . . 5.62 110.12 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -104.66 -3.96 23.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.753 0.279 . . . . 7.07 111.753 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 641' ' ' TYR . . . . . 0.522 ' HB2' ' O ' ' A' ' 637' ' ' ALA . 12.3 t80 -63.44 118.54 8.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.059 0.457 . . . . 5.5 110.813 -174.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 642' ' ' ASN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 717' ' ' GLU . 2.9 t-20 -154.12 80.56 1.13 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.427 -0.806 . . . . 4.9 108.926 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 3.3 t -175.75 111.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.712 -0.676 . . . . 4.46 110.516 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -73.89 -19.57 60.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.748 -0.66 . . . . 5.98 111.981 -177.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 96.4 mt -125.08 84.67 2.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.812 0.339 . . . . 8.01 110.212 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -130.03 154.82 47.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.013 0.435 . . . . 8.8 111.225 -176.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 13.8 tpt -133.87 75.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.38 0.609 . . . . 12.08 110.14 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 1.9 m -80.05 168.77 18.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.618 -0.719 . . . . 10.68 109.482 176.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -55.48 -68.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.937 -0.394 . . . . 13.39 109.937 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 43.5 t 65.73 125.57 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.939 0.774 . . . . 12.15 112.769 172.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -50.77 145.76 6.61 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.564 -0.744 . . . . 13.19 110.574 173.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -125.33 43.98 2.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.089 0.471 . . . . 15.45 110.991 -175.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 118.62 41.43 0.62 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 119.952 -1.118 . . . . 13.46 113.363 173.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -118.25 -156.66 10.31 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.672 -0.971 . . . . 12.43 110.672 173.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.42 ' HG2' ' HB3' ' A' ' 704' ' ' MET . 37.9 tt0 54.15 70.27 0.63 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.753 0.787 . . . . 10.98 110.558 176.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -90.9 69.89 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.606 -0.724 . . . . 11.8 111.816 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 657' ' ' ASP . . . . . 0.51 ' O ' ' HB2' ' A' ' 704' ' ' MET . 26.4 t70 -147.44 170.95 16.29 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.581 -0.896 . . . . 7.39 108.581 175.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 81.26 -45.32 3.2 Favored Glycine 0 C--O 1.229 -0.172 0 C-N-CA 121.21 -0.519 . . . . 5.88 112.586 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 15.6 tpt -68.8 106.9 2.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.862 0.363 . . . . 3.98 110.405 178.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -126.2 78.99 1.81 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.304 -0.407 . . . . 6.1 111.268 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 26.7 t70 72.69 -59.77 0.55 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.273 -0.876 . . . . 3.86 112.92 173.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -113.43 98.23 45.95 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.413 0.149 . . . . 3.19 110.903 -173.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -79.45 119.84 4.26 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.897 1.731 . . . . 0.97 111.867 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 664' ' ' ARG . . . . . 0.416 ' O ' HD13 ' A' ' 668' ' ' LEU . 28.2 ptt-85 -80.57 -25.03 38.81 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.339 -0.544 . . . . 3.16 111.218 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 665' ' ' TYR . . . . . 0.421 ' CZ ' ' HG3' ' A' ' 705' ' ' LYS . 8.5 p90 -67.26 -32.26 73.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.642 0.258 . . . . 0.81 111.268 -176.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 60.5 mtt -73.58 -33.54 64.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.88 0.371 . . . . 1.17 110.17 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -72.16 -44.48 63.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.927 -0.768 . . . . 1.2 108.927 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 664' ' ' ARG . 9.2 mp -62.27 -35.58 79.41 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.715 -0.675 . . . . 0.82 110.619 176.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.69 -32.3 57.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.359 . . . . 0.23 110.401 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 670' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 674' ' ' MET . 60.9 ttt180 -63.9 -43.69 95.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.927 -0.579 . . . . 3.33 109.467 174.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -63.03 -48.03 80.5 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.889 -0.782 . . . . 1.89 108.889 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -57.03 -42.62 80.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.363 -0.835 . . . . 0.23 111.465 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -68.36 -35.25 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.635 0.255 . . . . 1.76 110.37 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 674' ' ' MET . . . . . 0.453 ' O ' ' HA3' ' A' ' 678' ' ' GLY . 64.8 mtm -72.57 -27.0 61.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.663 0.268 . . . . 0.79 110.647 177.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.2 mm? -82.21 -28.72 31.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.415 -0.357 . . . . 0.53 111.208 177.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 676' ' ' PHE . . . . . 0.621 ' CZ ' ' HA ' ' A' ' 719' ' ' ALA . 11.9 t80 -89.06 -61.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.874 -0.331 . . . . 0.82 111.8 -176.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 25.8 p -101.13 18.59 19.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.0 0.429 . . . . 1.45 111.056 -176.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 678' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 674' ' ' MET . . . -82.92 -122.34 0.76 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.851 -0.69 . . . . 1.4 113.014 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 97.16 2.82 59.08 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.871 -0.681 . . . . 2.07 111.905 -177.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -125.73 61.47 1.24 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.374 0.607 . . . . 5.05 109.668 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 130.48 -43.49 1.3 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.547 -1.021 . . . . 1.41 110.547 -176.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -112.02 120.77 43.0 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.946 -0.761 . . . . 1.38 108.946 173.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.11 118.2 10.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.35 -0.611 . . . . 2.83 109.35 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 684' ' ' LYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 21.6 ptmt -63.52 142.94 58.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.137 0.494 . . . . 1.72 111.449 -173.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -155.89 97.93 2.26 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.583 -0.735 . . . . 1.68 109.512 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.83 -31.64 34.14 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.297 2.665 . . . . 0.42 113.74 -176.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -68.02 -52.63 33.4 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 120.966 0.412 . . . . 2.21 110.024 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -66.27 -36.64 83.5 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.162 -0.681 . . . . 3.24 109.162 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 689' ' ' SER . . . . . 0.403 ' HB3' ' HB2' ' A' ' 676' ' ' PHE . 20.0 m -54.41 -54.56 39.07 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.261 -0.881 . . . . 1.11 110.582 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.43 -31.14 76.09 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.288 -0.958 . . . . 0.19 111.881 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.18 -44.0 96.65 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.601 -0.518 . . . . 1.54 109.601 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.55 -36.32 73.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.037 -0.529 . . . . 1.35 110.82 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 693' ' ' TYR . . . . . 0.422 ' HB3' ' HB2' ' A' ' 716' ' ' ALA . 24.6 m-85 -63.41 -42.63 98.76 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.802 0.334 . . . . 1.33 110.7 176.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 15.7 p -71.18 -37.33 72.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.468 -0.333 . . . . 0.31 110.44 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -65.89 -40.6 91.7 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.56 -0.533 . . . . 2.13 109.56 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.19 94.21 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.963 -0.562 . . . . 0.18 110.922 175.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.83 -37.23 85.67 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.2 110.34 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.66 -46.69 88.67 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.103 -0.499 . . . . 1.84 110.092 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -68.12 -28.9 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.968 0.413 . . . . 0.21 110.738 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.24 -51.7 28.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.824 -0.626 . . . . 0.16 110.241 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 701' ' ' MET . . . . . 0.625 ' HB2' ' CZ3' ' A' ' 634' ' ' TRP . 24.3 ptt? -69.24 -25.65 64.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.951 0.405 . . . . 0.76 110.197 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -71.11 -33.81 70.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.129 0.49 . . . . 2.58 109.843 175.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -94.4 26.18 3.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.929 -0.578 . . . . 0.45 110.958 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 704' ' ' MET . . . . . 0.51 ' HB2' ' O ' ' A' ' 657' ' ' ASP . 24.5 mmt 54.12 47.9 22.19 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.699 -0.682 . . . . 2.61 110.821 177.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 705' ' ' LYS . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 665' ' ' TYR . 25.8 mmtm -127.18 64.03 1.32 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.345 -0.843 . . . . 1.59 109.877 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 706' ' ' GLY . . . . . 0.511 ' HA3' ' CD1' ' A' ' 634' ' ' TRP . . . -56.42 -39.8 84.49 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.565 -0.743 . . . . 0.47 113.513 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -55.25 -50.23 70.0 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.297 0.57 . . . . 3.9 110.201 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 708' ' ' LEU . . . . . 0.405 HD23 ' HB3' ' A' ' 705' ' ' LYS . 4.0 mm? -61.61 -45.33 94.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.388 -0.824 . . . . 1.02 110.266 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.84 83.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.781 -0.645 . . . . 0.21 111.126 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -62.81 -49.79 73.55 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.854 -0.425 . . . . 1.6 109.854 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -58.23 -55.45 34.77 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.021 -0.536 . . . . 1.83 111.532 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -60.2 -33.73 72.65 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.664 0.246 . . . . 0.44 111.664 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -70.25 -40.07 74.65 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.512 -0.475 . . . . 2.95 109.807 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -67.9 -25.92 65.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.453 0.644 . . . . 1.98 109.952 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -83.19 -29.01 28.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.059 -1.089 . . . . 1.67 108.059 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 716' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 693' ' ' TYR . . . -63.88 -47.43 80.7 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.384 -0.825 . . . . 0.25 110.103 170.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 717' ' ' GLU . . . . . 0.438 ' OE1' ' HA ' ' A' ' 642' ' ' ASN . 24.1 mt-10 -64.61 -38.98 92.88 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.767 -0.651 . . . . 2.16 110.298 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -59.13 -44.34 92.04 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 110.088 -0.338 . . . . 2.2 110.088 172.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 719' ' ' ALA . . . . . 0.621 ' HA ' ' CZ ' ' A' ' 676' ' ' PHE . . . -57.02 -47.97 79.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.355 -0.384 . . . . 0.37 111.511 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -76.24 -29.78 57.66 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.769 -0.372 . . . . 0.47 111.914 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -71.41 -31.1 66.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.254 0.55 . . . . 0.64 110.391 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -82.17 11.34 5.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.322 -0.854 . . . . 2.38 111.427 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 52.5 mtm -74.01 54.16 0.51 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.447 0.641 . . . . 2.42 110.18 174.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -126.22 22.55 7.18 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.382 -0.826 . . . . 4.88 109.527 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--O 1.245 0.849 0 CA-C-N 115.114 -0.948 . . . . 5.52 109.675 179.483 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 111.685 -0.566 . . . . 15.53 111.685 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 21.0 m -82.81 51.2 1.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.105 0.479 . . . . 14.35 111.277 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 625' ' ' HIS . . . . . 0.412 ' C ' ' H ' ' A' ' 627' ' ' SER . 51.1 t60 -88.15 -68.45 0.76 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.764 -0.828 . . . . 13.37 108.764 176.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 83.6 mtp 69.17 -34.09 0.27 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.475 0.917 . . . . 13.3 113.475 169.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 625' ' ' HIS . 20.5 p -63.98 121.91 74.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 120.893 0.378 . . . . 9.26 111.745 -176.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 628' ' ' PRO . . . . . 0.508 ' HA ' ' SG ' ' A' ' 631' ' ' CYS . 93.2 Cg_endo -82.21 -5.58 11.98 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.701 2.267 . . . . 7.14 111.445 175.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -76.58 -21.42 55.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.446 -0.797 . . . . 7.07 110.575 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 630' ' ' ARG . . . . . 0.444 HH21 ' CG ' ' A' ' 651' ' ' ASP . 60.6 mtm180 -122.3 78.4 1.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.175 0.512 . . . . 8.95 110.531 176.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 631' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' A' ' 628' ' ' PRO . 57.6 m -116.16 52.36 0.92 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.483 -0.781 . . . . 4.38 109.541 175.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -119.78 -49.05 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.837 -0.619 . . . . 4.67 111.644 -175.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -57.35 -34.25 68.6 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.741 0.645 . . . . 5.22 112.741 -173.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 634' ' ' TRP . . . . . 0.579 ' CZ2' ' HA3' ' A' ' 706' ' ' GLY . 53.9 p-90 -64.4 -26.36 68.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.042 0.448 . . . . 3.28 110.406 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 639' ' ' HIS . 43.1 mt -67.98 -34.05 75.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.917 -0.583 . . . . 3.12 110.716 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -66.06 -48.35 71.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.178 0.513 . . . . 5.37 110.206 175.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 637' ' ' ALA . . . . . 0.428 ' HB1' ' HB ' ' A' ' 643' ' ' THR . . . -63.34 -48.94 75.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.354 -0.839 . . . . 2.89 111.387 -177.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 28.7 tp -68.46 -27.9 66.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.033 -0.531 . . . . 2.25 110.756 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 639' ' ' HIS . . . . . 0.503 ' HB2' ' O ' ' A' ' 635' ' ' LEU . 28.4 t-80 -57.67 -44.63 85.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.095 -0.502 . . . . 5.62 111.051 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -97.3 7.61 46.22 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.15 0.5 . . . . 7.07 111.062 -177.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 32.3 t80 44.7 59.02 3.57 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 114.608 -1.178 . . . . 5.5 111.155 -176.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -153.09 84.55 1.21 Allowed 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.921 -0.77 . . . . 4.9 108.921 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 643' ' ' THR . . . . . 0.428 ' HB ' ' HB1' ' A' ' 637' ' ' ALA . 12.5 t -133.03 18.54 4.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.178 0.436 . . . . 4.46 112.178 -173.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -65.63 -33.64 76.36 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.134 0.493 . . . . 5.98 110.78 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 31.3 tp -116.62 46.99 1.52 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.078 -0.712 . . . . 8.01 109.078 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -56.71 142.3 40.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.947 -1.024 . . . . 8.8 111.122 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 68.9 mtm -73.34 81.46 1.38 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.55 -0.537 . . . . 12.08 109.55 173.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 6.2 p -69.14 97.47 0.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.734 -0.667 . . . . 10.68 111.881 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -93.48 97.17 10.36 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.398 -0.593 . . . . 13.39 109.398 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 78.5 m -80.95 156.59 25.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.841 -0.618 . . . . 12.15 110.777 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 651' ' ' ASP . . . . . 0.444 ' CG ' HH21 ' A' ' 630' ' ' ARG . 5.2 m-20 -105.91 136.01 46.32 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.072 -0.513 . . . . 13.19 110.067 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.89 66.02 2.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.444 0.64 . . . . 15.45 110.318 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 165.33 -86.23 0.1 Allowed Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 110.636 -0.986 . . . . 13.46 110.636 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 87.0 96.49 0.86 Allowed Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.833 -0.699 . . . . 12.43 113.23 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -86.13 73.15 10.3 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.351 -0.611 . . . . 10.98 109.351 174.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -62.25 127.46 31.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.887 -0.597 . . . . 11.8 111.031 -173.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 657' ' ' ASP . . . . . 0.453 ' HB3' ' NZ ' ' A' ' 705' ' ' LYS . 14.2 t70 -71.17 101.19 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.546 -0.752 . . . . 7.39 110.635 177.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -97.29 74.84 0.67 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.789 -0.641 . . . . 5.88 111.502 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -56.73 145.34 29.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.984 0.421 . . . . 3.98 111.228 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -81.63 63.14 5.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.307 0.575 . . . . 6.1 110.594 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -158.67 138.36 11.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.296 -0.865 . . . . 3.86 108.993 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.11 114.84 16.7 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 121.0 0.429 . . . . 3.19 110.807 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -77.33 121.57 5.73 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 121.652 1.568 . . . . 0.97 111.948 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -73.05 -32.79 65.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.776 -0.647 . . . . 3.16 110.225 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -64.16 -29.24 70.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.545 -0.752 . . . . 0.81 111.987 -175.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 10.5 mmt -71.83 -38.53 70.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.864 0.364 . . . . 1.17 110.725 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 51.1 ttp -70.52 -42.72 70.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.421 0.629 . . . . 1.2 109.693 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 9.1 mp -66.57 -33.56 75.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.523 -0.762 . . . . 0.82 110.563 177.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.04 -32.59 59.41 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.238 -0.282 . . . . 0.23 110.238 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -62.04 -46.51 88.84 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.659 -0.497 . . . . 3.33 109.659 174.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -63.78 -44.66 92.72 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.304 -0.628 . . . . 1.89 109.304 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.481 ' HB2' ' HB3' ' A' ' 692' ' ' LEU . . . -53.73 -43.56 69.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.828 -0.623 . . . . 0.23 111.652 175.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.36 -38.06 77.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.85 0.357 . . . . 1.76 110.478 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.4 mtm -69.06 -27.07 65.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.79 110.35 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.85 -17.59 32.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.873 0.368 . . . . 0.53 110.346 175.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 676' ' ' PHE . . . . . 0.614 ' O ' ' HE3' ' A' ' 684' ' ' LYS . 47.3 t80 -83.53 -61.65 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.458 -0.337 . . . . 0.82 111.573 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 677' ' ' THR . . . . . 0.444 ' HA ' ' OE2' ' A' ' 725' ' ' GLU . 14.0 t -102.68 -0.85 31.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.011 0.434 . . . . 1.45 111.447 -173.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 97.32 128.32 5.91 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.372 -0.918 . . . . 1.4 111.784 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -126.42 168.54 18.54 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.874 -0.679 . . . . 2.07 111.933 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -72.5 84.01 1.11 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.817 0.341 . . . . 5.05 110.631 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 120.38 -14.96 10.03 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.872 -0.68 . . . . 1.41 111.734 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -113.16 121.11 43.54 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.295 -0.261 . . . . 1.38 110.295 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -81.44 132.37 35.32 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.285 -0.635 . . . . 2.83 109.285 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 684' ' ' LYS . . . . . 0.614 ' HE3' ' O ' ' A' ' 676' ' ' PHE . 21.7 ptmt -67.5 141.2 56.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.444 0.64 . . . . 1.72 111.971 -174.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -154.94 113.99 2.36 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 114.776 -1.102 . . . . 1.68 109.177 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -52.62 -30.6 46.1 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.205 2.604 . . . . 0.42 113.593 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 687' ' ' GLN . . . . . 0.403 ' HA ' ' HE1' ' A' ' 720' ' ' TRP . 20.5 tm0? -72.33 -52.52 15.79 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.788 -0.365 . . . . 2.21 110.04 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -62.02 -35.57 78.95 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.657 -0.497 . . . . 3.24 109.657 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 689' ' ' SER . . . . . 0.475 ' HG ' ' HD2' ' A' ' 676' ' ' PHE . 33.2 t -52.36 -56.72 13.01 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.42 -0.809 . . . . 1.11 110.41 175.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.55 -31.97 74.37 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.151 -1.023 . . . . 0.19 112.026 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.66 -51.94 67.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.01 0.433 . . . . 1.54 110.0 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 692' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 672' ' ' ALA . 4.5 mm? -67.68 -36.44 80.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.379 -0.373 . . . . 1.35 110.874 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 693' ' ' TYR . . . . . 0.479 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 8.3 m-85 -66.48 -38.23 86.83 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 120.926 -0.31 . . . . 1.33 111.191 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 14.0 p -71.93 -40.88 68.43 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.753 -0.379 . . . . 0.31 110.974 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.91 -40.78 95.6 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.289 -0.564 . . . . 2.13 110.03 174.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.62 90.13 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.18 110.665 175.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.12 -35.82 80.58 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.801 0.334 . . . . 0.2 110.702 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -59.25 -49.08 79.21 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.985 -0.552 . . . . 1.84 109.64 175.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -66.27 -29.69 69.96 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.897 -0.592 . . . . 0.21 111.088 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -71.89 -50.87 25.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.014 -0.539 . . . . 0.16 110.503 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 45.3 ttp -64.82 -30.6 71.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.76 110.143 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -63.53 -41.71 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.814 -0.63 . . . . 2.58 110.341 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -81.48 14.41 2.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.45 111.463 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 83.0 mtp 66.32 21.99 10.9 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.215 0.531 . . . . 2.61 111.209 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 705' ' ' LYS . . . . . 0.453 ' NZ ' ' HB3' ' A' ' 657' ' ' ASP . 30.8 mmmt -101.52 57.73 0.85 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.208 -0.664 . . . . 1.59 109.208 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 706' ' ' GLY . . . . . 0.579 ' HA3' ' CZ2' ' A' ' 634' ' ' TRP . . . -54.93 -38.02 64.04 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.319 -0.855 . . . . 0.47 113.63 -175.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -58.86 -49.76 76.53 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 117.07 0.435 . . . . 3.9 110.375 177.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.71 -46.21 91.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.574 -0.528 . . . . 1.02 109.574 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -54.45 -55.34 29.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.988 -1.006 . . . . 0.21 111.331 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 710' ' ' ASN . . . . . 0.464 ' CB ' ' HB2' ' A' ' 634' ' ' TRP . 5.5 t30 -64.2 -35.9 82.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.396 -0.366 . . . . 1.6 110.87 -176.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.34 -52.2 66.64 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.682 -0.407 . . . . 1.83 110.524 173.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -64.56 -25.69 68.09 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.989 0.366 . . . . 0.44 111.989 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -70.04 -43.77 70.58 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.572 -0.529 . . . . 2.95 109.572 170.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -58.44 -31.33 67.66 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.705 -0.679 . . . . 1.98 110.077 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 715' ' ' LYS . . . . . 0.49 ' HE2' ' CE1' ' A' ' 676' ' ' PHE . 6.2 tmtp? -82.86 -36.02 25.78 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.087 -0.961 . . . . 1.67 108.983 -175.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.37 89.16 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.821 -0.627 . . . . 0.25 110.466 175.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.98 -43.07 79.79 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.058 -0.519 . . . . 2.16 109.892 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -63.36 -38.44 91.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.338 -0.392 . . . . 2.2 110.429 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.46 58.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.691 0.282 . . . . 0.37 111.087 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 720' ' ' TRP . . . . . 0.403 ' HE1' ' HA ' ' A' ' 687' ' ' GLN . 30.2 m0 -71.98 -30.75 65.58 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.205 0.446 . . . . 0.47 112.205 -178.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -76.48 -44.14 36.66 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.965 0.358 . . . . 0.64 111.965 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -79.25 -58.86 3.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.473 -0.33 . . . . 2.38 110.774 -172.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 65.3 mtm 45.52 44.35 9.78 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.203 0.525 . . . . 2.42 110.958 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -154.23 120.2 5.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.647 -0.706 . . . . 4.88 110.013 -175.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 725' ' ' GLU . . . . . 0.516 ' HB3' ' NZ ' ' A' ' 684' ' ' LYS . 35.4 tt0 . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.68 -0.676 . . . . 5.52 109.848 -177.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.838 0 N-CA-C 112.025 -0.43 . . . . 15.53 112.025 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 23.9 m -80.85 90.89 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.943 0.401 . . . . 14.35 111.239 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -77.17 89.95 3.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.01 -0.541 . . . . 13.37 109.634 176.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -142.69 144.42 32.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.371 -0.377 . . . . 13.3 111.188 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.467 ' HB3' ' OD2' ' A' ' 657' ' ' ASP . 37.5 p -130.17 129.91 22.99 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.858 -0.61 . . . . 9.26 109.84 174.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 628' ' ' PRO . . . . . 0.51 ' HD2' ' O ' ' A' ' 704' ' ' MET . 57.9 Cg_endo -72.86 58.88 3.42 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.918 2.412 . . . . 7.14 112.304 178.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 629' ' ' ASP . . . . . 0.403 ' C ' ' H ' ' A' ' 631' ' ' CYS . 18.6 t70 -74.2 -41.11 61.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.857 -0.61 . . . . 7.07 110.644 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 630' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 630' ' ' ARG . 24.6 mtm180 -82.74 23.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.613 0.721 . . . . 8.95 110.22 177.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 631' ' ' CYS . . . . . 0.403 ' H ' ' C ' ' A' ' 629' ' ' ASP . 57.3 m -131.83 128.36 38.53 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.128 -0.942 . . . . 4.38 108.783 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -123.81 -6.35 7.96 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.811 -0.356 . . . . 4.67 111.598 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -73.4 -24.78 60.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.047 -0.261 . . . . 5.22 111.188 -176.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 634' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -73.32 -22.63 60.29 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.08 -0.248 . . . . 3.28 111.009 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.44 -39.47 74.34 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.435 -0.58 . . . . 3.12 109.435 174.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -65.85 -44.68 84.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.594 -0.73 . . . . 5.37 109.881 175.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -56.44 -42.88 78.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.751 -0.659 . . . . 2.89 110.443 175.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 67.0 tp -62.1 -40.8 97.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.63 -0.714 . . . . 2.25 111.19 177.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -60.2 -39.53 86.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.308 -0.406 . . . . 5.62 110.584 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -94.62 8.69 41.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.233 -0.44 . . . . 7.07 111.052 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 641' ' ' TYR . . . . . 0.446 ' CZ ' HG22 ' A' ' 648' ' ' THR . 49.9 t80 -90.99 35.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.87 0.843 . . . . 5.5 109.734 177.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -81.26 84.01 6.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.617 -0.719 . . . . 4.9 109.461 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 3.6 t -156.95 132.98 9.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.778 -0.647 . . . . 4.46 110.499 -177.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -74.33 -34.14 63.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.711 -0.677 . . . . 5.98 110.841 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 87.1 mt -105.33 -167.87 1.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.414 -0.587 . . . . 8.01 109.414 175.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 62.84 62.31 1.07 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.108 0.48 . . . . 8.8 110.374 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 647' ' ' MET . . . . . 0.482 ' HA ' HE22 ' A' ' 714' ' ' GLN . 24.6 ttt -73.42 116.85 14.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.979 -0.555 . . . . 12.08 110.903 -178.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 648' ' ' THR . . . . . 0.446 HG22 ' CZ ' ' A' ' 641' ' ' TYR . 11.9 t -83.58 136.92 34.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.079 -0.509 . . . . 10.68 109.809 174.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -119.48 8.02 11.26 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.267 0.556 . . . . 13.39 109.623 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 43.1 t -82.32 94.16 7.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.477 -0.783 . . . . 12.15 110.485 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 651' ' ' ASP . . . . . 0.457 ' HB2' ' HB2' ' A' ' 707' ' ' ARG . 28.9 t70 -96.0 145.56 25.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.909 -0.587 . . . . 13.19 110.172 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -136.42 157.76 46.02 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.014 -0.365 . . . . 15.45 110.014 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -159.11 -74.32 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.579 -0.82 . . . . 13.46 112.531 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 123.34 -92.75 0.46 Allowed Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.81 -0.71 . . . . 12.43 111.98 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -155.01 142.68 19.82 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.211 -0.292 . . . . 10.98 110.211 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 54.0 t80 66.31 124.51 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 O-C-N 124.11 0.881 . . . . 11.8 111.57 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 657' ' ' ASP . . . . . 0.467 ' OD2' ' HB3' ' A' ' 627' ' ' SER . 22.4 t0 -110.21 120.45 42.47 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.929 -0.578 . . . . 7.39 110.163 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -70.13 -23.09 77.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 121.139 -0.553 . . . . 5.88 112.561 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 18.7 ttt -68.03 116.42 8.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.969 0.414 . . . . 3.98 110.722 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -87.22 57.23 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.19 -0.459 . . . . 6.1 111.335 -177.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.522 ' O ' ' HD3' ' A' ' 663' ' ' PRO . 28.6 t70 71.03 -40.59 0.48 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.058 0.943 . . . . 3.86 113.545 174.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.12 106.84 3.16 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 120.774 0.321 . . . . 3.19 111.28 -175.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 663' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 661' ' ' ASP . 97.2 Cg_endo -82.42 119.67 3.09 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.019 1.812 . . . . 0.97 112.598 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -80.1 -35.22 37.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.675 0.75 . . . . 3.16 109.775 171.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 665' ' ' TYR . . . . . 0.641 ' CE2' ' HG3' ' A' ' 666' ' ' MET . 40.2 p90 -65.58 -35.2 80.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.163 -0.926 . . . . 0.81 111.73 -175.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.641 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 51.7 mtt -70.98 -28.69 64.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.649 0.262 . . . . 1.17 110.626 -179.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 59.6 ttp -69.9 -49.05 55.91 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.473 -0.566 . . . . 1.2 109.473 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.15 -33.6 75.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.299 -0.864 . . . . 0.82 110.636 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -78.01 -31.89 50.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.23 110.474 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -62.9 -43.67 98.18 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.223 0.535 . . . . 3.33 109.69 175.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -65.65 -44.43 86.35 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.761 -0.654 . . . . 1.89 109.642 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.43 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -57.77 -39.96 78.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.23 111.166 175.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.55 -42.69 98.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.859 -0.609 . . . . 1.76 110.334 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.8 mtm -67.59 -25.04 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.79 110.483 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.72 -18.91 33.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.483 -0.326 . . . . 0.53 110.635 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -85.64 -62.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.179 -0.209 . . . . 0.82 111.229 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 37.4 p -88.38 -12.28 43.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.954 0.407 . . . . 1.45 111.76 -174.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 103.18 138.22 9.81 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.451 -0.88 . . . . 1.4 111.555 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -130.63 168.56 21.7 Favored Glycine 0 N--CA 1.439 -1.106 0 C-N-CA 120.229 -0.986 . . . . 2.07 112.073 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -79.61 79.42 6.09 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.461 -0.57 . . . . 5.05 109.461 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 122.59 -11.5 8.97 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.667 -0.697 . . . . 1.41 111.51 -174.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -111.84 120.39 41.79 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.176 -0.305 . . . . 1.38 110.176 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.2 122.16 25.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.016 -0.538 . . . . 2.83 109.865 176.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 684' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -65.24 134.39 53.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.508 0.671 . . . . 1.72 111.044 -175.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -155.63 109.14 2.18 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.394 -0.821 . . . . 1.68 110.101 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.94 -31.96 65.7 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.971 2.447 . . . . 0.42 113.498 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -69.51 -54.6 13.42 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 120.747 0.308 . . . . 2.21 110.549 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -68.43 -32.47 72.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 3.24 109.854 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 23.3 t -55.18 -46.39 75.81 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.71 -0.677 . . . . 1.11 110.023 176.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.83 -31.48 67.26 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.416 -0.897 . . . . 0.19 112.1 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 695' ' ' GLN . 20.7 t70 -62.1 -45.95 91.22 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.392 -0.596 . . . . 1.54 109.392 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.92 -35.4 72.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.788 -0.642 . . . . 1.35 111.11 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 693' ' ' TYR . . . . . 0.43 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 8.9 m-85 -69.55 -34.04 73.65 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.948 -0.301 . . . . 1.33 111.364 177.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 11.5 p -73.59 -32.12 63.95 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.359 -0.536 . . . . 0.31 110.011 176.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 695' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 691' ' ' ASP . 85.4 mm-40 -64.64 -44.07 91.64 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.44 -0.578 . . . . 2.13 109.44 171.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.99 91.84 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.64 -0.709 . . . . 0.18 111.211 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.18 83.33 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.939 0.399 . . . . 0.2 110.491 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.22 -44.97 96.42 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.753 -0.658 . . . . 1.84 109.373 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -69.16 -29.75 67.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.993 -0.549 . . . . 0.21 110.914 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.18 -45.84 65.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.015 -0.539 . . . . 0.16 110.796 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -70.94 -26.37 63.16 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.759 -0.376 . . . . 0.76 110.382 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -73.49 -24.65 60.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.041 0.448 . . . . 2.58 110.893 174.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -94.28 11.5 30.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.087 -0.506 . . . . 0.45 110.252 174.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 704' ' ' MET . . . . . 0.51 ' O ' ' HD2' ' A' ' 628' ' ' PRO . 1.0 OUTLIER 53.57 42.11 31.97 Favored 'General case' 0 N--CA 1.46 0.073 0 CA-C-N 115.009 -0.996 . . . . 2.61 111.513 179.351 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? -108.45 80.97 1.4 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.527 -0.76 . . . . 1.59 109.019 174.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -54.68 -58.72 12.13 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.628 -0.715 . . . . 0.47 113.7 -175.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 707' ' ' ARG . . . . . 0.457 ' HB2' ' HB2' ' A' ' 651' ' ' ASP . 42.0 ttt180 -52.98 -42.23 65.35 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.841 0.353 . . . . 3.9 111.382 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.64 -47.54 78.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.126 -0.488 . . . . 1.02 110.23 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.14 -44.07 83.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.962 -0.563 . . . . 0.21 110.585 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -61.75 -50.8 70.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.017 -0.538 . . . . 1.6 110.692 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -58.74 -52.64 64.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.547 -0.297 . . . . 1.83 111.521 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -59.43 -36.33 75.71 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.134 -0.227 . . . . 0.44 111.446 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -68.45 -39.28 81.51 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.999 0.428 . . . . 2.95 109.896 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 714' ' ' GLN . . . . . 0.482 HE22 ' HA ' ' A' ' 647' ' ' MET . 29.5 tt0 -67.19 -26.36 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.973 -0.558 . . . . 1.98 110.554 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.57 -31.5 28.99 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.471 -0.937 . . . . 1.67 108.471 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.67 -49.16 74.28 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.458 -0.792 . . . . 0.25 110.001 173.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -64.59 -39.65 94.11 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.992 -0.549 . . . . 2.16 109.99 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.56 -45.62 88.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.755 0.312 . . . . 2.2 110.473 176.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.95 -48.39 78.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.002 -0.545 . . . . 0.37 110.886 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -74.64 -34.61 62.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.321 -0.399 . . . . 0.47 111.888 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -73.74 -35.08 65.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.618 0.246 . . . . 0.64 111.559 -178.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -84.34 -59.92 2.24 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.92 -0.312 . . . . 2.38 111.103 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 72.1 mtm 38.69 45.27 0.89 Allowed 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.57 0.544 . . . . 2.42 111.842 -175.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -139.15 72.02 1.39 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.167 -0.469 . . . . 4.88 110.96 -176.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 C--O 1.25 1.119 0 N-CA-C 109.523 -0.547 . . . . 5.52 109.523 175.469 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 111.6 -0.6 . . . . 15.53 111.6 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 8.0 t -128.78 -35.31 1.9 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.068 0.434 . . . . 14.35 111.304 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -84.58 38.67 0.7 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.075 0.464 . . . . 13.37 111.541 -177.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 61.9 mtm 63.44 66.72 0.68 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.573 -0.739 . . . . 13.3 112.06 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' A' ' 657' ' ' ASP . 55.8 m -93.71 141.87 24.36 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.552 -0.749 . . . . 9.26 109.863 174.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 628' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.85 72.36 3.21 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.785 2.323 . . . . 7.14 112.498 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -79.76 -31.59 40.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.999 -0.546 . . . . 7.07 109.757 176.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -104.62 70.13 0.92 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.645 0.736 . . . . 8.95 109.078 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 7.1 p -102.86 51.39 0.8 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.678 -0.692 . . . . 4.38 110.43 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -116.79 -10.71 11.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.937 -0.574 . . . . 4.67 111.429 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -77.56 -32.81 54.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.67 -0.241 . . . . 5.22 111.239 -174.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 634' ' ' TRP . . . . . 0.484 ' O ' ' HG ' ' A' ' 638' ' ' LEU . 66.7 p-90 -65.39 -28.74 69.48 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.078 -0.249 . . . . 3.28 111.158 -175.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.489 HD12 ' H ' ' A' ' 635' ' ' LEU . 5.9 mp -62.47 -43.61 98.4 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.147 0.498 . . . . 3.12 110.026 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.479 ' O ' ' HD1' ' A' ' 640' ' ' TRP . 11.1 mm-40 -75.75 -40.86 54.65 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.43 -0.805 . . . . 5.37 110.207 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -54.5 -48.65 71.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.723 -0.672 . . . . 2.89 111.18 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 634' ' ' TRP . 66.1 mt -70.57 -11.92 61.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 2.25 111.791 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -87.21 -24.51 24.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.927 0.394 . . . . 5.62 110.775 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 640' ' ' TRP . . . . . 0.479 ' HD1' ' O ' ' A' ' 636' ' ' GLU . 68.5 m95 -110.62 9.38 22.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.142 0.496 . . . . 7.07 110.01 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 641' ' ' TYR . . . . . 0.632 ' OH ' ' HB2' ' A' ' 714' ' ' GLN . 9.0 t80 -78.71 130.28 35.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.73 -0.668 . . . . 5.5 112.25 -167.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 642' ' ' ASN . . . . . 0.603 ' HA ' ' OE1' ' A' ' 717' ' ' GLU . 47.5 t-20 -166.94 87.04 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.335 -0.848 . . . . 4.9 108.985 173.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 643' ' ' THR . . . . . 0.439 HG21 HE21 ' A' ' 714' ' ' GLN . 33.3 p -107.18 -75.91 0.62 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.27 -0.423 . . . . 4.46 111.773 -174.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . 71.26 -55.9 0.64 Allowed 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.749 0.819 . . . . 5.98 112.508 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.63 -49.03 3.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.297 -0.252 . . . . 8.01 111.639 -177.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.46 110.02 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.435 0.635 . . . . 8.8 110.709 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 66.8 mtt -87.22 101.83 13.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.835 -0.62 . . . . 12.08 110.226 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 40.9 p -89.98 73.14 7.4 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.268 0.556 . . . . 10.68 110.899 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -97.56 32.97 2.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.769 -0.65 . . . . 13.39 109.979 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 4.0 p -80.93 61.96 4.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.828 -0.624 . . . . 12.15 111.095 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -163.6 145.91 9.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.572 -0.74 . . . . 13.19 109.262 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -120.61 18.11 12.01 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.828 -0.349 . . . . 15.45 111.247 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 130.72 73.91 0.12 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.612 -0.804 . . . . 13.46 112.204 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -66.59 -59.67 6.96 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.254 -0.498 . . . . 12.43 112.741 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 655' ' ' GLU . 0.5 OUTLIER -104.21 114.98 29.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.67 0.748 . . . . 10.98 111.253 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -112.14 36.48 3.33 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.596 -0.89 . . . . 11.8 108.596 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 657' ' ' ASP . . . . . 0.54 ' HB3' ' HA ' ' A' ' 627' ' ' SER . 25.7 t70 -161.72 154.11 19.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.357 -1.292 . . . . 7.39 108.791 -177.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 144.62 -142.65 11.14 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.061 -0.815 . . . . 5.88 111.061 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -106.2 93.22 4.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.33 0.586 . . . . 3.98 109.95 177.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.9 31.11 5.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.679 -0.691 . . . . 6.1 110.44 174.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.94 -70.7 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.638 -0.875 . . . . 3.86 108.638 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -126.89 87.32 56.87 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.415 -0.957 . . . . 3.19 108.415 169.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -79.08 120.37 4.57 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.834 1.689 . . . . 0.97 112.425 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 664' ' ' ARG . . . . . 0.46 ' O ' HD13 ' A' ' 668' ' ' LEU . 15.1 ptt180 -79.99 -21.13 43.99 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.589 -0.444 . . . . 3.16 110.897 177.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 665' ' ' TYR . . . . . 0.458 ' HB3' ' HB3' ' A' ' 699' ' ' ALA . 6.1 p90 -64.13 -29.74 70.85 Favored 'General case' 0 N--CA 1.461 0.077 0 C-N-CA 120.853 -0.339 . . . . 0.81 111.509 -177.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 61.8 mtt -70.04 -42.17 73.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.954 0.406 . . . . 1.17 109.992 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 57.9 ttp -68.63 -43.82 75.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 1.2 110.118 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 664' ' ' ARG . 10.1 mp -66.47 -35.8 81.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.548 -0.751 . . . . 0.82 110.832 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.3 -33.87 59.06 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.956 -0.387 . . . . 0.23 109.956 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -62.2 -45.52 93.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.751 -0.659 . . . . 3.33 109.617 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 671' ' ' GLU . . . . . 0.413 ' O ' HD23 ' A' ' 675' ' ' LEU . 29.7 tt0 -66.03 -43.84 86.41 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.952 -0.567 . . . . 1.89 109.582 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.402 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -56.33 -41.55 76.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.23 111.115 175.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -64.78 -40.32 95.06 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.827 -0.624 . . . . 1.76 110.354 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 674' ' ' MET . . . . . 0.425 ' HB3' ' HG ' ' A' ' 682' ' ' LEU . 71.5 mtm -70.17 -25.85 63.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.79 110.72 177.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.538 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.9 mm? -84.38 -18.58 35.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.942 0.401 . . . . 0.53 110.395 177.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -82.81 -50.6 8.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.173 -0.467 . . . . 0.82 111.13 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 33.6 p -88.43 -28.2 21.05 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.06 0.457 . . . . 1.45 111.365 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 97.02 -164.08 22.45 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.347 -0.701 . . . . 1.4 111.347 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 159.81 -170.91 36.07 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.765 -0.731 . . . . 2.07 111.411 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -83.91 82.88 8.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.064 0.459 . . . . 5.05 109.994 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 127.91 -31.05 3.8 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.361 -0.696 . . . . 1.41 111.361 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 682' ' ' LEU . . . . . 0.425 ' HG ' ' HB3' ' A' ' 674' ' ' MET . 3.2 mm? -98.57 138.09 36.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.316 -0.624 . . . . 1.38 109.316 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 683' ' ' GLU . . . . . 0.464 ' O ' HD13 ' A' ' 675' ' ' LEU . 59.4 mm-40 -97.96 154.51 17.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.773 0.32 . . . . 2.83 110.526 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 684' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 14.0 ptmm? -90.23 89.49 7.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.873 0.845 . . . . 1.72 109.633 176.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -116.75 108.06 45.37 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.23 -0.896 . . . . 1.68 109.922 -176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.28 -38.96 73.25 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.221 2.614 . . . . 0.42 113.501 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -72.86 -43.29 62.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.847 0.356 . . . . 2.21 110.178 -176.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 688' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 688' ' ' ARG . 0.0 OUTLIER -70.03 -40.91 74.89 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.966 -0.753 . . . . 3.24 108.966 -178.402 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 23.1 t -56.25 -54.08 49.56 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.371 -0.831 . . . . 1.11 110.657 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.68 -32.8 79.06 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.243 -0.98 . . . . 0.19 112.237 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 32.8 t70 -64.0 -43.43 95.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.05 0.452 . . . . 1.54 109.839 177.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 33.9 mt -68.88 -37.58 79.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.34 -0.391 . . . . 1.35 110.906 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 693' ' ' TYR . . . . . 0.402 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 9.0 m-85 -66.46 -36.97 84.09 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.931 -0.308 . . . . 1.33 110.94 177.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 12.3 p -73.0 -37.38 67.01 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.752 -0.379 . . . . 0.31 110.601 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 695' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 86.4 mt-30 -65.16 -39.92 93.62 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.253 0.549 . . . . 2.13 109.673 173.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.59 92.65 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.761 -0.654 . . . . 0.18 110.556 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.78 84.45 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.2 110.534 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 698' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 701' ' ' MET . 28.1 tt0 -57.24 -51.95 67.27 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.32 0.581 . . . . 1.84 109.548 173.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 699' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 665' ' ' TYR . . . -61.6 -31.77 71.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.789 -0.641 . . . . 0.21 111.179 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -71.07 -48.82 50.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.081 -0.509 . . . . 0.16 110.554 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 701' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 698' ' ' GLU . 22.2 ptp -65.25 -31.33 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.76 110.611 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -76.78 -16.4 59.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.002 0.429 . . . . 2.58 111.254 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -103.09 13.99 32.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.233 -0.439 . . . . 0.45 111.256 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 22.6 mmt 64.58 34.82 9.65 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.344 0.592 . . . . 2.61 111.489 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -113.98 72.17 0.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.774 -0.648 . . . . 1.59 110.09 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -53.73 -48.34 61.82 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.59 -0.732 . . . . 0.47 113.472 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -60.85 -39.93 90.93 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 117.557 0.678 . . . . 3.9 110.999 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.29 -46.36 89.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.967 -0.382 . . . . 1.02 109.967 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.91 90.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.76 -0.655 . . . . 0.21 110.572 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -61.44 -49.93 74.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.51 -0.768 . . . . 1.6 110.276 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.38 -52.72 64.4 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.903 -0.59 . . . . 1.83 111.311 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -58.2 -34.8 70.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.969 0.359 . . . . 0.44 111.969 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 713' ' ' TYR . . . . . 0.414 ' O ' ' HG3' ' A' ' 717' ' ' GLU . 12.5 m-85 -67.83 -42.03 82.08 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 120.165 -0.614 . . . . 2.95 110.336 173.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 714' ' ' GLN . . . . . 0.632 ' HB2' ' OH ' ' A' ' 641' ' ' TYR . 30.7 tt0 -63.54 -29.78 70.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.378 0.609 . . . . 1.98 110.571 178.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -83.45 -33.78 25.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.545 -0.752 . . . . 1.67 109.132 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.53 83.53 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.075 0.464 . . . . 0.25 110.039 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 717' ' ' GLU . . . . . 0.603 ' OE1' ' HA ' ' A' ' 642' ' ' ASN . 40.5 mt-10 -59.94 -46.62 88.8 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.769 -0.65 . . . . 2.16 110.443 176.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -58.42 -44.19 88.98 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.282 -0.417 . . . . 2.2 110.406 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 719' ' ' ALA . . . . . 0.576 ' O ' ' HG2' ' A' ' 723' ' ' MET . . . -53.03 -53.93 42.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.37 111.096 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -70.43 -37.26 74.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.028 0.381 . . . . 0.47 112.028 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -74.63 -35.81 62.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.931 0.396 . . . . 0.64 111.684 -175.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -70.33 -11.19 60.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.103 -0.499 . . . . 2.38 111.57 -176.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 723' ' ' MET . . . . . 0.576 ' HG2' ' O ' ' A' ' 719' ' ' ALA . 21.5 mmt -77.96 6.92 6.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.909 0.385 . . . . 2.42 111.633 -177.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.61 -18.81 58.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.33 0.586 . . . . 4.88 109.637 171.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.353 -0.832 . . . . 5.52 109.733 177.743 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 112.112 -0.395 . . . . 15.53 112.112 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 39.1 t -77.02 107.67 9.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.094 0.473 . . . . 14.35 110.061 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -122.54 89.51 3.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.855 -0.611 . . . . 13.37 109.656 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 53.9 ttm 67.27 77.29 0.27 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.71 -0.677 . . . . 13.3 110.239 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 69.9 m -101.35 118.28 60.36 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.521 -0.763 . . . . 9.26 110.616 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 628' ' ' PRO . . . . . 0.803 ' HA ' ' SG ' ' A' ' 631' ' ' CYS . 95.3 Cg_endo -76.53 54.42 4.36 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.268 2.646 . . . . 7.14 112.488 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -67.18 -42.17 84.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.579 -0.737 . . . . 7.07 111.561 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -144.43 3.72 1.16 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.333 -0.394 . . . . 8.95 111.992 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 631' ' ' CYS . . . . . 0.803 ' SG ' ' HA ' ' A' ' 628' ' ' PRO . 6.2 p -84.78 102.42 13.02 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.778 -0.823 . . . . 4.38 108.778 171.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -116.13 15.31 16.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.193 -0.458 . . . . 4.67 110.612 -176.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.35 -31.8 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 5.22 110.958 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 634' ' ' TRP . . . . . 0.493 ' HA ' ' HB3' ' A' ' 637' ' ' ALA . 63.1 p-90 -71.23 -20.27 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 3.28 111.389 -176.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.06 -43.03 99.72 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.55 0.691 . . . . 3.12 109.44 174.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -75.58 -43.96 45.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.063 -0.971 . . . . 5.37 110.009 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 637' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 634' ' ' TRP . . . -57.95 -39.76 78.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.636 -0.711 . . . . 2.89 111.649 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.47 -24.04 67.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.353 -0.385 . . . . 2.25 111.465 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -79.73 -13.45 59.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.03 0.443 . . . . 5.62 110.268 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -116.79 9.0 13.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.756 -0.656 . . . . 7.07 110.063 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -98.79 75.87 2.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.895 -0.593 . . . . 5.5 110.447 -173.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -83.01 96.81 8.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.062 -0.517 . . . . 4.9 110.459 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 18.7 p -130.16 125.47 35.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.151 -0.477 . . . . 4.46 110.871 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 644' ' ' ALA . . . . . 0.52 ' HB2' ' HG3' ' A' ' 717' ' ' GLU . . . -121.22 -69.45 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.197 -0.456 . . . . 5.98 110.278 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.75 -23.71 39.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.646 0.26 . . . . 8.01 111.054 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -75.31 93.27 2.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.31 -0.404 . . . . 8.8 110.142 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 647' ' ' MET . . . . . 0.41 ' HA ' ' OE1' ' A' ' 714' ' ' GLN . 71.0 mtm -66.66 102.47 0.92 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.866 -0.607 . . . . 12.08 110.145 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 7.0 p -86.59 81.97 8.07 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.653 -0.703 . . . . 10.68 111.951 -176.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -82.4 52.37 2.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.264 -0.643 . . . . 13.39 109.264 174.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 38.8 m -90.59 30.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.657 -0.701 . . . . 12.15 111.421 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -148.77 129.09 13.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.286 -0.416 . . . . 13.19 110.179 177.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -93.15 40.64 1.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.065 -0.516 . . . . 15.45 111.289 -177.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 75.49 52.27 6.73 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.828 -0.701 . . . . 13.46 112.564 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -105.59 -128.4 6.14 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.831 -0.7 . . . . 12.43 111.845 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 57.23 84.05 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.638 0.732 . . . . 10.98 111.924 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -100.07 79.5 2.19 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.623 -0.717 . . . . 11.8 109.238 175.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.68 -166.22 1.52 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.384 -0.825 . . . . 7.39 110.433 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -72.47 -46.51 32.35 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.706 -0.759 . . . . 5.88 112.484 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 14.1 tpt 53.37 85.26 0.05 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.28 0.562 . . . . 3.98 110.048 -173.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -78.39 56.11 1.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.65 -0.705 . . . . 6.1 112.415 -171.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 25.7 t0 64.92 -75.74 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.084 -0.962 . . . . 3.86 112.511 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -100.81 106.71 45.49 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.553 0.216 . . . . 3.19 110.524 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.75 121.85 5.22 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.185 1.924 . . . . 0.97 112.526 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 664' ' ' ARG . . . . . 0.454 ' O ' HD13 ' A' ' 668' ' ' LEU . 6.2 ptm180 -79.1 -32.61 44.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.851 0.358 . . . . 3.16 110.826 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -62.63 -32.16 73.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.414 -0.357 . . . . 0.81 111.194 -176.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 55.5 mtt -73.28 -30.96 63.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.582 -0.281 . . . . 1.17 110.388 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -72.89 -45.34 58.74 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.609 -0.886 . . . . 1.2 108.609 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' ' 664' ' ' ARG . 9.6 mp -60.33 -37.6 81.13 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.618 -0.719 . . . . 0.82 110.374 176.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.09 -33.69 57.0 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.23 110.589 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -64.4 -39.36 93.7 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.232 -0.655 . . . . 3.33 109.232 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 671' ' ' GLU . . . . . 0.415 ' O ' HD23 ' A' ' 675' ' ' LEU . 20.3 tp10 -63.67 -49.4 73.3 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.309 -0.86 . . . . 1.89 108.839 177.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.51 73.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.411 -0.813 . . . . 0.23 111.144 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.94 -39.57 90.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.527 . . . . 1.76 110.307 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 66.4 mtm -74.81 -18.13 60.51 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.31 -0.405 . . . . 0.79 110.615 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.598 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.6 mm? -85.07 -28.51 25.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.751 0.31 . . . . 0.53 110.591 175.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -83.63 -50.92 7.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.48 -0.327 . . . . 0.82 111.031 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 74.2 p -89.17 -13.09 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.983 0.42 . . . . 1.45 111.537 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 90.14 -172.01 37.76 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.54 -0.838 . . . . 1.4 111.309 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 163.9 -172.59 39.8 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.201 -1.0 . . . . 2.07 112.274 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -67.79 92.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.908 0.385 . . . . 5.05 110.869 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 90.74 7.5 66.45 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.882 -0.675 . . . . 1.41 112.38 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -106.43 120.84 42.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.061 0.458 . . . . 1.38 110.799 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -80.7 123.25 28.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.705 -0.679 . . . . 2.83 109.902 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 684' ' ' LYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 21.1 ptmt -71.38 125.9 28.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.266 0.555 . . . . 1.72 110.114 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -151.37 105.22 2.94 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.877 -0.601 . . . . 1.68 110.215 -175.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -52.2 -32.89 52.11 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 123.344 2.696 . . . . 0.42 113.712 -178.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.91 -51.79 36.2 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 109.21 -0.663 . . . . 2.21 109.21 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 688' ' ' ARG . . . . . 0.435 ' HD2' HD11 ' A' ' 675' ' ' LEU . 15.3 ttm180 -66.75 -36.88 83.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.604 -0.725 . . . . 3.24 109.636 -177.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 20.7 m -54.56 -52.28 62.58 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.522 -0.763 . . . . 1.11 110.492 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.85 -34.85 83.67 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.308 -0.948 . . . . 0.19 112.141 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.36 -44.32 96.75 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.29 0.567 . . . . 1.54 109.831 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 55.5 mt -73.93 -36.37 64.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.89 -0.595 . . . . 1.35 111.137 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -65.95 -37.85 87.08 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.934 -0.306 . . . . 1.33 110.812 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 18.2 p -73.74 -35.66 65.06 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.731 -0.388 . . . . 0.31 110.287 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 695' ' ' GLN . . . . . 0.419 ' HG3' HD23 ' A' ' 668' ' ' LEU . 62.4 tp60 -66.5 -39.35 88.67 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.259 -0.645 . . . . 2.13 109.259 175.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.77 95.71 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.88 -0.6 . . . . 0.18 110.825 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.95 79.12 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.941 0.401 . . . . 0.2 109.957 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.85 -45.09 94.19 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.799 -0.637 . . . . 1.84 109.632 175.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -68.25 -28.32 67.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.21 110.777 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.79 -47.73 36.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.16 110.635 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -69.96 -29.89 67.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.76 110.242 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -69.28 -31.0 69.22 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.602 -0.518 . . . . 2.58 109.602 175.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -83.58 9.14 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.885 -0.598 . . . . 0.45 111.091 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 62.3 mtt 67.78 31.26 5.95 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.133 -0.485 . . . . 2.61 110.988 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -119.62 78.12 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.424 0.63 . . . . 1.59 110.823 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -62.29 -33.06 84.89 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.067 -0.97 . . . . 0.47 114.01 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -62.47 -49.07 76.86 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 117.537 0.669 . . . . 3.9 109.959 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.98 -45.62 91.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.449 -0.796 . . . . 1.02 110.259 177.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.64 -41.04 80.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.715 -0.675 . . . . 0.21 110.984 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -62.26 -51.97 65.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 1.6 110.205 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -55.89 -56.07 25.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 1.83 110.88 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -61.87 -35.62 78.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.351 0.501 . . . . 0.44 112.351 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -69.69 -40.72 76.18 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 119.461 -0.896 . . . . 2.95 109.724 176.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 714' ' ' GLN . . . . . 0.41 ' OE1' ' HA ' ' A' ' 647' ' ' MET . 7.5 tt0 -64.2 -25.93 68.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.54 0.686 . . . . 1.98 109.86 178.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -81.47 -35.09 30.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.167 -0.924 . . . . 1.67 108.646 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.28 80.52 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.501 -0.772 . . . . 0.25 110.432 174.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 717' ' ' GLU . . . . . 0.52 ' HG3' ' HB2' ' A' ' 644' ' ' ALA . 16.6 tp10 -66.02 -43.87 86.39 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.34 -0.846 . . . . 2.16 108.724 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -64.6 -36.73 85.18 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.141 -0.481 . . . . 2.2 111.366 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.91 -51.3 68.08 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.844 0.355 . . . . 0.37 110.764 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -77.19 -28.57 53.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.47 111.79 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -69.56 -39.82 77.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.98 0.419 . . . . 0.64 111.073 177.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -79.07 -59.05 2.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.766 -0.652 . . . . 2.38 110.805 -176.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 71.3 mtm 41.62 43.42 2.34 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.131 0.491 . . . . 2.42 111.156 -175.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -144.22 163.34 33.92 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.817 -0.629 . . . . 4.88 109.578 -172.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.115 -0.945 . . . . 5.52 110.603 178.615 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 112.082 -0.407 . . . . 15.53 112.082 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 5.3 p -135.65 51.08 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.923 0.392 . . . . 14.35 111.531 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -83.91 -13.75 52.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.318 0.58 . . . . 13.37 109.458 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.505 ' SD ' ' HA ' ' A' ' 655' ' ' GLU . 16.9 tpt -152.55 70.55 0.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.456 -0.793 . . . . 13.3 109.775 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 17.8 m -126.69 74.22 75.11 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.058 -0.519 . . . . 9.26 110.671 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 628' ' ' PRO . . . . . 0.598 ' HA ' ' SG ' ' A' ' 631' ' ' CYS . 90.0 Cg_endo -83.09 49.75 3.13 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.735 2.29 . . . . 7.14 112.446 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -60.16 -41.47 92.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 7.07 111.254 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -109.13 14.51 23.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.759 0.314 . . . . 8.95 111.56 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 631' ' ' CYS . . . . . 0.598 ' SG ' ' HA ' ' A' ' 628' ' ' PRO . 5.2 p -146.59 51.66 1.12 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.278 0.561 . . . . 4.38 110.713 -178.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -116.28 24.82 11.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.527 0.679 . . . . 4.67 110.021 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -72.54 -19.55 61.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.123 -0.944 . . . . 5.22 110.693 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 634' ' ' TRP . . . . . 0.448 ' CD2' ' HB2' ' A' ' 701' ' ' MET . 60.0 p-90 -64.87 -27.65 69.01 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.079 -0.51 . . . . 3.28 111.569 -175.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.66 -41.07 98.87 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.523 -0.547 . . . . 3.12 109.523 175.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.508 ' HA ' ' HB3' ' A' ' 639' ' ' HIS . 31.7 mm-40 -76.27 -31.77 58.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.679 -0.692 . . . . 5.37 110.664 178.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 637' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 710' ' ' ASN . . . -54.88 -43.65 73.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.194 -0.457 . . . . 2.89 111.116 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 648' ' ' THR . 11.2 mp -85.49 -10.62 55.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 2.25 111.259 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 639' ' ' HIS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 636' ' ' GLU . 11.5 t-160 -84.43 -40.73 17.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.404 -0.362 . . . . 5.62 110.84 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 640' ' ' TRP . . . . . 0.499 ' HD1' ' O ' ' A' ' 636' ' ' GLU . 66.1 m95 -69.71 -31.26 69.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.457 -0.338 . . . . 7.07 111.516 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 641' ' ' TYR . . . . . 0.439 ' CZ ' ' HG3' ' A' ' 714' ' ' GLN . 39.4 t80 -127.01 112.94 15.82 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.028 -0.269 . . . . 5.5 111.041 -176.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 642' ' ' ASN . . . . . 0.536 ' HA ' ' OE2' ' A' ' 717' ' ' GLU . 2.9 t-20 -161.7 101.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.772 -0.649 . . . . 4.9 109.821 173.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 1.4 m -87.65 -55.66 3.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.058 -0.519 . . . . 4.46 110.818 -177.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -127.65 142.18 51.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.097 -0.501 . . . . 5.98 110.502 -176.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 84.3 mt 62.73 91.59 0.07 Allowed 'General case' 0 C--O 1.233 0.208 0 O-C-N 123.862 0.726 . . . . 8.01 111.16 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -74.76 81.6 2.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.568 -0.742 . . . . 8.8 110.544 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 50.6 ttm -79.84 -70.44 0.51 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.297 -0.631 . . . . 12.08 109.297 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 648' ' ' THR . . . . . 0.42 ' HA ' HD23 ' A' ' 638' ' ' LEU . 4.2 m 46.97 68.84 0.56 Allowed 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.717 0.635 . . . . 10.68 111.518 176.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -74.93 93.19 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.022 0.439 . . . . 13.39 110.221 -176.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 56.4 m -80.97 65.43 6.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.093 -0.503 . . . . 12.15 110.373 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 19.4 t70 60.41 73.83 0.47 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.505 -0.771 . . . . 13.19 111.072 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -106.61 98.09 7.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.832 -0.622 . . . . 15.45 110.089 175.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 76.9 18.33 78.92 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.958 -0.639 . . . . 13.46 112.17 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -87.79 -93.4 0.99 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.977 -0.63 . . . . 12.43 112.463 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.505 ' HA ' ' SD ' ' A' ' 626' ' ' MET . 41.9 mt-10 57.75 76.68 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.615 0.366 . . . . 10.98 111.9 -177.279 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -161.58 40.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.256 0.55 . . . . 11.8 110.396 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 657' ' ' ASP . . . . . 0.493 ' HB3' ' HA ' ' A' ' 626' ' ' MET . 29.4 t70 -72.93 79.55 1.17 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.371 -0.603 . . . . 7.39 109.371 176.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -130.02 -21.26 1.23 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.7 -0.762 . . . . 5.88 113.325 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 659' ' ' MET . . . . . 0.548 ' SD ' ' HB1' ' A' ' 703' ' ' ALA . 13.5 tpt 58.03 90.82 0.04 OUTLIER 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.463 0.649 . . . . 3.98 111.321 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.81 142.23 58.3 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.63 -0.714 . . . . 6.1 109.883 175.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.23 -27.86 69.29 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.652 -0.704 . . . . 3.86 110.761 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -105.36 116.21 60.7 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 108.843 -0.799 . . . . 3.19 108.843 174.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -67.78 121.49 8.55 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 121.915 1.744 . . . . 0.97 112.252 -173.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 664' ' ' ARG . . . . . 0.478 ' O ' HD13 ' A' ' 668' ' ' LEU . 34.7 ttp85 -77.99 -34.03 51.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.82 -0.627 . . . . 3.16 110.743 -178.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 665' ' ' TYR . . . . . 0.589 ' CE2' ' HG3' ' A' ' 666' ' ' MET . 32.5 p90 -65.36 -32.0 73.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.932 -0.576 . . . . 0.81 112.152 -174.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 666' ' ' MET . . . . . 0.589 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 48.8 mtt -70.75 -39.51 73.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.585 0.231 . . . . 1.17 111.133 -177.052 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -69.78 -42.77 73.37 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 109.079 -0.712 . . . . 1.2 109.079 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 664' ' ' ARG . 8.9 mp -63.57 -36.2 83.01 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.579 -0.737 . . . . 0.82 110.709 177.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.14 -30.9 55.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.902 0.382 . . . . 0.23 110.159 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -62.73 -46.39 88.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.029 -0.532 . . . . 3.33 110.189 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.48 -41.5 93.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.707 -0.479 . . . . 1.89 109.707 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.67 -40.97 76.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.063 0.458 . . . . 0.23 110.941 175.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.73 -44.11 94.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.894 -0.594 . . . . 1.76 110.4 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.8 mtm -67.91 -29.74 68.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.871 -0.604 . . . . 0.79 111.09 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.9 mm? -82.23 -31.11 30.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.685 0.278 . . . . 0.53 111.128 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 676' ' ' PHE . . . . . 0.403 ' O ' ' HE3' ' A' ' 684' ' ' LYS . 61.8 t80 -72.14 -45.68 59.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.406 -0.361 . . . . 0.82 110.636 -178.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 39.6 p -87.88 -33.07 18.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.327 -0.397 . . . . 1.45 111.887 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 73.05 -136.07 22.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.916 -0.659 . . . . 1.4 111.735 -177.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 86.2 -65.44 3.85 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.801 -0.714 . . . . 2.07 113.339 173.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -75.81 65.95 2.01 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.76 0.314 . . . . 5.05 111.777 -175.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 70.65 5.88 57.52 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 116.171 -0.468 . . . . 1.41 112.406 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 79.5 mt -113.79 132.03 56.01 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.469 0.176 . . . . 1.38 110.729 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -79.64 126.4 30.86 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.587 -0.894 . . . . 2.83 108.587 172.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 684' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 22.2 ptmt -61.55 126.27 26.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.255 0.55 . . . . 1.72 110.183 -177.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -134.45 98.07 14.04 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.754 -0.657 . . . . 1.68 110.514 -175.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 686' ' ' PRO . . . . . 0.4 ' HB3' ' O ' ' A' ' 719' ' ' ALA . 54.3 Cg_exo -55.53 -28.02 62.56 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.945 2.43 . . . . 0.42 113.3 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -67.78 -54.62 17.75 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 120.722 0.296 . . . . 2.21 110.701 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -67.74 -32.79 73.65 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.729 -0.471 . . . . 3.24 109.729 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 28.8 m -56.32 -49.05 75.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.949 -0.568 . . . . 1.11 110.739 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.72 -32.74 70.71 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 120.25 -0.976 . . . . 0.19 112.256 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 35.4 t70 -64.43 -41.56 96.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.272 0.558 . . . . 1.54 109.689 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 42.3 mt -71.48 -36.88 71.29 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.879 -0.601 . . . . 1.35 111.041 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -70.98 -32.76 69.7 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.947 -0.301 . . . . 1.33 111.545 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 7.3 p -72.47 -37.41 68.48 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.579 -0.448 . . . . 0.31 109.975 176.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 695' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 95.1 mt-30 -64.18 -41.54 97.06 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.324 -0.621 . . . . 2.13 109.324 173.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.84 94.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.798 -0.637 . . . . 0.18 111.278 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.38 90.78 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.2 110.348 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 698' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 701' ' ' MET . 19.3 tt0 -59.76 -45.96 90.63 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.758 -0.655 . . . . 1.84 109.522 175.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -69.87 -27.42 64.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.768 -0.651 . . . . 0.21 110.922 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.61 -46.98 51.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.176 -0.465 . . . . 0.16 110.891 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 701' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 698' ' ' GLU . 25.1 ptt? -67.46 -27.02 66.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.647 -0.501 . . . . 0.76 109.647 177.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -72.49 -31.04 65.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.183 -0.917 . . . . 2.58 110.525 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 703' ' ' ALA . . . . . 0.548 ' HB1' ' SD ' ' A' ' 659' ' ' MET . . . -95.26 17.69 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.466 -0.788 . . . . 0.45 111.371 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 49.2 mtt 64.27 29.78 13.65 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.035 -0.53 . . . . 2.61 111.315 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -114.47 85.65 2.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.788 0.327 . . . . 1.59 110.846 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -57.75 -54.35 38.07 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.936 -0.574 . . . . 0.47 113.76 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -62.03 -36.16 80.75 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 117.066 0.433 . . . . 3.9 111.214 -176.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.6 -43.72 96.1 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.788 -0.449 . . . . 1.02 109.788 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.72 90.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.584 -0.734 . . . . 0.21 110.339 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 710' ' ' ASN . . . . . 0.475 ' HB2' ' HB1' ' A' ' 637' ' ' ALA . 22.2 t-20 -61.4 -50.71 71.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.219 -0.446 . . . . 1.6 110.474 176.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -55.76 -56.2 23.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.132 -0.485 . . . . 1.83 111.083 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -62.14 -32.2 72.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.248 -0.433 . . . . 0.44 111.785 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -70.68 -39.19 73.68 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.383 -0.599 . . . . 2.95 109.383 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 714' ' ' GLN . . . . . 0.439 ' HG3' ' CZ ' ' A' ' 641' ' ' TYR . 49.5 tt0 -64.53 -28.22 69.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.29 -0.868 . . . . 1.98 110.22 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -87.88 -25.3 23.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.651 -0.704 . . . . 1.67 109.266 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.35 -46.94 71.9 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.907 -0.588 . . . . 0.25 109.679 173.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 717' ' ' GLU . . . . . 0.536 ' OE2' ' HA ' ' A' ' 642' ' ' ASN . 93.1 mt-10 -61.69 -44.98 95.89 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.829 -0.623 . . . . 2.16 109.901 175.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -54.76 -48.19 72.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.977 -0.556 . . . . 2.2 110.69 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 719' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 686' ' ' PRO . . . -60.57 -44.88 95.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.575 -0.739 . . . . 0.37 111.767 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -78.35 -26.89 46.87 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.277 -0.569 . . . . 0.47 111.505 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -72.93 -22.55 60.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.237 0.541 . . . . 0.64 110.135 174.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 722' ' ' GLN . . . . . 0.426 ' HA ' ' HB2' ' A' ' 725' ' ' GLU . 53.4 tp60 -62.97 -22.61 66.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.495 -0.775 . . . . 2.38 110.852 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 41.8 mtm -71.25 -17.95 62.46 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.902 0.382 . . . . 2.42 110.705 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -123.51 26.44 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.178 0.513 . . . . 4.88 110.386 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 725' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 722' ' ' GLN . 13.3 tp10 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.532 -0.747 . . . . 5.52 109.707 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 652' ' ' GLU . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 112.357 -0.297 . . . . 15.53 112.357 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 33.5 t -75.17 130.25 38.88 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.121 -0.696 . . . . 14.35 109.121 174.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -116.86 109.53 17.2 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.015 0.436 . . . . 13.37 111.184 -175.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.468 ' O ' ' HD3' ' A' ' 628' ' ' PRO . 27.9 ttt -70.95 96.63 1.31 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.042 -0.725 . . . . 13.3 109.042 174.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.465 ' HB2' ' O ' ' A' ' 631' ' ' CYS . 5.3 m -76.98 108.88 7.47 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.994 -0.548 . . . . 9.26 111.05 -175.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 628' ' ' PRO . . . . . 0.468 ' HD3' ' O ' ' A' ' 626' ' ' MET . 85.2 Cg_endo -82.16 2.09 8.76 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.904 2.403 . . . . 7.14 112.01 -178.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.35 29.79 0.49 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.26 -0.882 . . . . 7.07 110.818 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 63.19 34.75 13.23 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.904 0.859 . . . . 8.95 109.899 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 631' ' ' CYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 627' ' ' SER . 63.2 m -119.74 65.46 0.81 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.435 -0.802 . . . . 4.38 109.501 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -112.49 -5.4 14.06 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.672 -0.695 . . . . 4.67 111.1 -177.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -75.58 -33.61 60.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.439 -0.346 . . . . 5.22 111.018 -176.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 634' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -71.9 -24.94 61.73 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.947 0.403 . . . . 3.28 110.243 -178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.06 -45.94 91.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.887 -0.597 . . . . 3.12 109.756 176.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -69.37 -36.41 76.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.625 -0.716 . . . . 5.37 110.271 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.32 -46.02 83.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 2.89 110.689 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.487 HD11 ' CE1' ' A' ' 713' ' ' TYR . 3.5 mm? -66.75 -23.11 66.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 2.25 111.488 178.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -79.35 -26.8 42.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.869 0.366 . . . . 5.62 110.584 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -111.66 9.25 21.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.873 0.368 . . . . 7.07 111.385 -178.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 641' ' ' TYR . . . . . 0.522 ' OH ' ' HA ' ' A' ' 714' ' ' GLN . 15.8 t80 -128.88 83.11 2.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.501 0.667 . . . . 5.5 109.845 176.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -90.0 108.46 19.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.496 -0.775 . . . . 4.9 110.895 -177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 6.9 p -98.06 -66.98 0.87 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.349 -0.387 . . . . 4.46 111.609 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -114.51 56.6 0.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.854 0.359 . . . . 5.98 110.949 -177.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 94.7 mt 57.41 55.21 5.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.58 -0.736 . . . . 8.01 110.374 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -71.54 95.82 1.45 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.68 -0.691 . . . . 8.8 111.04 -177.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 62.6 mtt -111.23 91.67 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.599 -0.728 . . . . 12.08 109.278 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 1.3 m -78.22 65.26 3.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.328 -0.851 . . . . 10.68 111.275 -175.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -110.63 69.81 0.7 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.814 -0.63 . . . . 13.39 109.748 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 52.2 t -151.11 99.59 2.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.894 -0.594 . . . . 12.15 110.285 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.49 39.21 0.77 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.041 0.448 . . . . 13.19 110.769 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 652' ' ' GLU . . . . . 0.467 ' O ' ' HA3' ' A' ' 623' ' ' GLY . 31.9 tt0 -81.55 103.13 11.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.683 -0.689 . . . . 15.45 109.394 177.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 68.96 66.27 2.33 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.793 -0.717 . . . . 13.46 111.653 -175.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -49.72 -69.6 1.01 Allowed Glycine 0 C--O 1.228 -0.221 0 O-C-N 123.786 0.345 . . . . 12.43 113.242 -176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -97.98 38.79 1.27 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.439 0.638 . . . . 10.98 109.973 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -79.26 84.71 5.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.985 -0.552 . . . . 11.8 109.918 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 657' ' ' ASP . . . . . 0.413 ' HA ' ' SD ' ' A' ' 704' ' ' MET . 8.1 p-10 -96.7 -7.98 32.62 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.651 -0.704 . . . . 7.39 110.764 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -82.88 65.55 4.11 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 116.013 -0.539 . . . . 5.88 112.807 -177.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 659' ' ' MET . . . . . 0.528 ' HE1' ' O ' ' A' ' 661' ' ' ASP . 1.2 tmt? -67.99 129.91 41.35 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.761 -0.459 . . . . 3.98 109.761 176.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -155.61 76.06 0.94 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.245 0.545 . . . . 6.1 110.714 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.528 ' O ' ' HE1' ' A' ' 659' ' ' MET . 4.1 p-10 -160.48 160.75 32.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.597 -0.729 . . . . 3.86 109.29 177.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.9 127.16 91.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 N-CA-C 109.245 -0.65 . . . . 3.19 109.245 176.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -56.42 116.52 3.24 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.583 1.522 . . . . 0.97 112.024 -171.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -79.86 -32.59 40.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.27 -0.877 . . . . 3.16 110.913 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 665' ' ' TYR . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 705' ' ' LYS . 25.0 p90 -63.63 -27.91 69.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.621 -0.718 . . . . 0.81 111.559 -175.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 67.4 mtt -71.22 -41.74 69.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.028 0.442 . . . . 1.17 110.253 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 44.9 ttp -69.25 -45.12 70.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.732 -0.667 . . . . 1.2 109.701 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.87 -34.2 77.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.595 -0.73 . . . . 0.82 110.803 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.98 -31.61 56.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.87 0.367 . . . . 0.23 110.13 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -65.59 -42.34 91.81 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.558 -0.534 . . . . 3.33 109.558 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -66.22 -44.41 83.89 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.153 -0.684 . . . . 1.89 109.153 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 692' ' ' LEU . . . -55.21 -41.7 72.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.873 -0.603 . . . . 0.23 111.406 174.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -64.87 -38.19 90.13 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.697 0.284 . . . . 1.76 110.691 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.4 mtm -73.23 -21.07 60.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.512 -0.313 . . . . 0.79 110.838 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 4.1 mm? -86.94 -26.91 23.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.69 0.281 . . . . 0.53 110.8 174.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -86.49 -59.32 2.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.567 -0.288 . . . . 0.82 111.445 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 32.5 p -90.38 -4.54 56.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.924 0.393 . . . . 1.45 111.565 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 92.27 150.08 25.41 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.496 -0.859 . . . . 1.4 111.387 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -146.4 -178.23 21.65 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.63 -0.795 . . . . 2.07 112.089 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -71.79 85.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.873 0.368 . . . . 5.05 110.623 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 103.84 -2.7 45.03 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.743 -0.741 . . . . 1.41 111.799 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -109.36 121.32 44.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.755 -0.461 . . . . 1.38 109.755 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -76.34 153.88 35.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.33 -0.619 . . . . 2.83 109.33 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 684' ' ' LYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 20.9 ptmt -88.97 127.29 35.66 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.387 -0.525 . . . . 1.72 110.291 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 685' ' ' ASP . . . . . 0.501 ' OD2' ' HB3' ' A' ' 687' ' ' GLN . 22.3 t70 -151.55 108.9 2.94 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.714 -0.675 . . . . 1.68 110.036 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.44 -29.65 49.86 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.338 2.692 . . . . 0.42 113.811 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 687' ' ' GLN . . . . . 0.501 ' HB3' ' OD2' ' A' ' 685' ' ' ASP . 27.7 tp60 -66.01 -52.37 49.86 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.649 -0.5 . . . . 2.21 109.649 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -67.02 -35.3 79.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.744 -0.662 . . . . 3.24 109.557 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 17.9 m -55.06 -55.16 34.07 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.683 -0.69 . . . . 1.11 110.659 176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.5 -32.65 71.55 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.139 -1.029 . . . . 0.19 111.858 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 32.3 t70 -62.22 -45.77 91.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.381 0.61 . . . . 1.54 109.723 178.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 692' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 672' ' ' ALA . 0.3 OUTLIER -74.34 -34.68 63.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 1.35 111.045 179.628 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 693' ' ' TYR . . . . . 0.413 ' CE2' ' HD2' ' A' ' 715' ' ' LYS . 7.5 m-85 -65.71 -37.77 87.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.664 0.269 . . . . 1.33 111.108 177.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 15.5 p -72.05 -34.8 69.03 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.625 -0.43 . . . . 0.31 110.171 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 695' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 79.9 mt-30 -64.88 -44.37 89.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.881 -0.414 . . . . 2.13 109.881 172.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.91 93.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.18 111.039 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -70.12 -35.53 74.16 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.2 110.526 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -60.6 -45.86 92.41 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.33 -0.618 . . . . 1.84 109.33 174.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -69.16 -26.21 64.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.989 -0.551 . . . . 0.21 110.964 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.03 -50.18 43.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.259 -0.428 . . . . 0.16 110.391 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -69.68 -25.31 63.82 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.704 -0.48 . . . . 0.76 109.704 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -67.56 -39.95 84.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.66 -0.7 . . . . 2.58 109.634 174.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.26 22.35 2.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.276 -0.875 . . . . 0.45 111.919 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 704' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 657' ' ' ASP . 95.0 mmm 65.87 20.44 11.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.098 0.475 . . . . 2.61 111.909 175.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 705' ' ' LYS . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 665' ' ' TYR . 74.5 mmtt -107.86 65.1 0.63 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.078 -0.51 . . . . 1.59 109.734 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -57.39 -36.23 75.62 Favored Glycine 0 CA--C 1.517 0.183 0 CA-C-N 115.688 -0.687 . . . . 0.47 113.199 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -63.6 -45.01 92.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.937 0.398 . . . . 3.9 110.451 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.85 -42.68 98.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.96 -0.564 . . . . 1.02 109.883 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -56.87 -54.13 50.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.34 -0.846 . . . . 0.21 110.73 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -54.45 -48.64 71.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.264 -0.425 . . . . 1.6 110.728 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -57.56 -54.5 46.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.529 -0.305 . . . . 1.83 111.615 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -63.0 -27.01 69.13 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.316 0.487 . . . . 0.44 112.316 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 713' ' ' TYR . . . . . 0.487 ' CE1' HD11 ' A' ' 638' ' ' LEU . 22.9 m-85 -71.42 -40.79 70.21 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.397 -0.521 . . . . 2.95 109.997 172.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 714' ' ' GLN . . . . . 0.522 ' HA ' ' OH ' ' A' ' 641' ' ' TYR . 58.0 tp60 -64.69 -24.85 67.7 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.721 0.772 . . . . 1.98 109.629 175.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 715' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 715' ' ' LYS . 4.7 tmtp? -83.15 -37.23 23.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.293 -0.867 . . . . 1.67 108.823 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.42 98.88 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.834 -0.621 . . . . 0.25 110.076 173.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.56 -48.62 80.28 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.99 -0.55 . . . . 2.16 109.876 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -53.71 -46.54 70.79 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.169 -0.469 . . . . 2.2 110.725 176.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.27 -54.85 38.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.901 -0.591 . . . . 0.37 111.413 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -73.22 -24.62 60.52 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.044 0.387 . . . . 0.47 112.044 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -72.58 -36.67 68.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.835 0.35 . . . . 0.64 111.203 177.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -83.08 -55.95 4.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.492 -0.322 . . . . 2.38 110.899 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 64.4 mtm 61.75 -85.85 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.84 0.713 . . . . 2.42 111.292 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -66.17 124.0 21.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.082 0.468 . . . . 4.88 110.965 -178.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.67 -0.681 . . . . 5.52 109.32 -179.33 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.754 -0.538 . . . . 15.53 111.754 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 57.2 p -93.95 153.73 18.05 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.308 -0.256 . . . . 14.35 110.308 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -86.95 42.15 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.559 -0.534 . . . . 13.37 109.559 176.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' A' ' 653' ' ' GLY . 26.6 mmt 61.67 93.93 0.04 OUTLIER 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.306 -0.861 . . . . 13.3 110.211 -174.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 10.3 p -67.71 130.18 93.12 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.57 -0.741 . . . . 9.26 111.006 -177.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 628' ' ' PRO . . . . . 0.455 ' HB2' ' SG ' ' A' ' 631' ' ' CYS . 74.2 Cg_endo -75.22 64.99 6.27 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.994 2.463 . . . . 7.14 111.723 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -66.25 -40.33 90.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.807 -0.633 . . . . 7.07 111.058 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -116.23 37.15 3.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.152 -0.476 . . . . 8.95 111.001 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 631' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' A' ' 628' ' ' PRO . 23.6 p -73.79 2.53 8.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.288 -0.415 . . . . 4.38 112.06 -175.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -110.12 -9.01 14.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.826 0.346 . . . . 4.67 110.623 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -93.72 -40.41 10.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 5.22 111.997 -171.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 634' ' ' TRP . . . . . 0.499 ' CZ3' HD22 ' A' ' 638' ' ' LEU . 63.5 p-90 -65.34 -17.28 64.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.418 -0.355 . . . . 3.28 111.376 -176.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.74 -37.36 65.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 3.12 111.198 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.49 -47.14 85.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.885 0.374 . . . . 5.37 110.26 177.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.28 83.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.867 -0.606 . . . . 2.89 110.723 177.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 638' ' ' LEU . . . . . 0.499 HD22 ' CZ3' ' A' ' 634' ' ' TRP . 28.8 tp -63.69 -30.67 71.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.573 -0.74 . . . . 2.25 111.602 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -65.34 -27.58 68.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.132 0.492 . . . . 5.62 110.473 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -105.4 10.72 33.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.814 -0.63 . . . . 7.07 110.376 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 641' ' ' TYR . . . . . 0.442 ' HB2' ' HA ' ' A' ' 638' ' ' LEU . 35.9 t80 -62.01 92.83 0.04 OUTLIER 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.742 -0.663 . . . . 5.5 110.891 -177.03 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 642' ' ' ASN . . . . . 0.516 ' HA ' ' OE1' ' A' ' 717' ' ' GLU . 12.4 m120 -125.02 86.6 2.58 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.314 -0.995 . . . . 4.9 108.314 174.336 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 643' ' ' THR . . . . . 0.7 ' HB ' ' OE1' ' A' ' 714' ' ' GLN . 1.2 m -123.56 20.76 9.47 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.062 -0.972 . . . . 4.46 111.141 -168.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 644' ' ' ALA . . . . . 0.529 ' HB2' ' HB3' ' A' ' 717' ' ' GLU . . . -65.78 -42.14 91.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.274 -0.421 . . . . 5.98 111.658 -175.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 7.9 mp -78.97 -47.76 15.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.031 0.444 . . . . 8.01 110.399 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -105.77 73.57 1.02 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.827 -0.624 . . . . 8.8 110.144 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.14 99.93 1.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 12.08 110.006 -177.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 22.4 p -82.95 84.73 7.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.031 -0.531 . . . . 10.68 111.529 -177.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -81.6 74.38 8.59 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.133 -0.691 . . . . 13.39 109.133 176.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 58.2 m -141.01 52.03 1.6 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.814 -0.63 . . . . 12.15 110.591 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 651' ' ' ASP . . . . . 0.418 ' OD1' ' HD2' ' A' ' 707' ' ' ARG . 15.7 t70 -110.07 131.81 54.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.205 -0.452 . . . . 13.19 110.437 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -121.71 -5.88 9.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.534 0.683 . . . . 15.45 109.498 176.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 653' ' ' GLY . . . . . 0.595 ' O ' ' HG3' ' A' ' 626' ' ' MET . . . -80.3 -62.44 2.08 Favored Glycine 0 N--CA 1.442 -0.935 0 CA-C-N 115.436 -0.802 . . . . 13.46 112.515 -176.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 80.88 -45.62 3.19 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.426 -0.892 . . . . 12.43 111.935 -174.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 59.51 71.83 0.56 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.919 0.866 . . . . 10.98 110.101 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -91.99 88.61 6.64 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.981 -1.008 . . . . 11.8 109.533 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -22.48 54.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.505 -0.77 . . . . 7.39 111.83 -175.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 121.56 -29.73 5.57 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.561 -0.828 . . . . 5.88 112.677 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -82.28 84.68 7.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.34 0.591 . . . . 3.98 110.308 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -121.0 31.99 6.15 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.46 -0.791 . . . . 6.1 109.587 169.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -72.03 -69.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.728 -0.669 . . . . 3.86 109.627 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -126.79 86.77 57.98 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.454 -0.573 . . . . 3.19 109.454 172.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 663' ' ' PRO . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 665' ' ' TYR . 1.5 Cg_endo -80.25 122.11 4.57 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.249 1.966 . . . . 0.97 112.166 177.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -77.32 -29.13 53.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.837 0.351 . . . . 3.16 110.739 176.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 665' ' ' TYR . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 663' ' ' PRO . 1.8 p90 -64.02 -23.02 67.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.81 111.406 -177.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 19.4 mmt -73.23 -38.88 65.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.649 0.262 . . . . 1.17 110.308 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 59.2 ttp -72.18 -43.35 64.67 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.546 -0.539 . . . . 1.2 109.546 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.55 -39.1 89.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.545 -0.752 . . . . 0.82 110.549 177.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.88 -32.92 57.81 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.739 0.304 . . . . 0.23 110.484 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -61.84 -47.15 86.36 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.7 -0.481 . . . . 3.33 109.7 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.19 -43.74 90.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.304 -0.628 . . . . 1.89 109.304 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.44 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -54.56 -41.89 70.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.895 -0.593 . . . . 0.23 111.358 175.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.52 -41.0 89.45 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.428 -0.351 . . . . 1.76 110.401 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 70.4 mtm -68.43 -26.75 65.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.79 110.496 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.39 -23.17 26.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 0.53 110.671 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -76.45 -58.36 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.242 -0.436 . . . . 0.82 110.703 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 20.2 p -81.75 -33.1 31.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.236 -0.438 . . . . 1.45 111.435 -176.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 678' ' ' GLY . . . . . 0.453 ' CA ' ' HB3' ' A' ' 684' ' ' LYS . . . 89.61 165.41 40.9 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.949 -0.643 . . . . 1.4 111.786 -177.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -176.57 -179.8 47.19 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.449 -0.881 . . . . 2.07 112.115 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -76.91 82.85 3.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.207 0.527 . . . . 5.05 109.771 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 148.17 -41.13 0.91 Allowed Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.999 -0.84 . . . . 1.41 110.999 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -112.2 121.07 43.9 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.955 -0.387 . . . . 1.38 109.955 177.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -81.82 120.15 24.8 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.37 -0.604 . . . . 2.83 109.37 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 684' ' ' LYS . . . . . 0.453 ' HB3' ' CA ' ' A' ' 678' ' ' GLY . 20.5 ptmt -63.01 135.59 57.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.638 0.733 . . . . 1.72 111.729 -175.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -148.78 101.77 3.44 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.011 -0.995 . . . . 1.68 109.265 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -51.58 -33.22 47.41 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.17 2.58 . . . . 0.42 113.636 -177.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -69.08 -54.0 17.36 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.633 0.254 . . . . 2.21 110.389 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -67.08 -34.6 78.01 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.272 -0.64 . . . . 3.24 109.272 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 34.5 t -53.12 -55.16 26.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.717 -0.674 . . . . 1.11 110.528 175.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -66.89 -32.92 82.43 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.228 -0.987 . . . . 0.19 112.085 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.65 -44.59 93.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.145 0.498 . . . . 1.54 109.788 178.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 40.6 mt -70.25 -37.66 74.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.054 -0.521 . . . . 1.35 110.601 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 693' ' ' TYR . . . . . 0.44 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 7.8 m-85 -66.82 -38.91 87.36 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.19 -0.204 . . . . 1.33 111.129 177.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 19.6 p -73.58 -34.36 65.08 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.738 -0.385 . . . . 0.31 110.63 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 -69.79 -39.51 76.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.938 -0.393 . . . . 2.13 109.938 174.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.95 97.85 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.228 -0.442 . . . . 0.18 110.482 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.78 74.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.849 0.356 . . . . 0.2 110.387 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -60.38 -49.26 78.28 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.862 -0.608 . . . . 1.84 109.709 174.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -66.88 -26.68 67.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.909 -0.587 . . . . 0.21 110.962 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.37 -49.69 25.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.982 -0.554 . . . . 0.16 110.707 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -67.35 -30.84 70.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.978 0.418 . . . . 0.76 110.165 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -68.42 -28.08 66.76 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.168 0.508 . . . . 2.58 109.969 176.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -95.12 17.65 13.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.715 -0.675 . . . . 0.45 111.091 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 26.3 mmt 59.11 41.52 20.41 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.992 -0.549 . . . . 2.61 111.364 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -114.43 84.17 2.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.969 -0.559 . . . . 1.59 110.156 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 706' ' ' GLY . . . . . 0.484 ' HA2' ' CZ2' ' A' ' 634' ' ' TRP . . . -53.96 -58.43 12.67 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.946 -0.57 . . . . 0.47 114.079 -178.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 707' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 707' ' ' ARG . 22.8 ttt180 -57.76 -40.47 79.84 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.997 0.399 . . . . 3.9 111.329 -176.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.74 -51.84 65.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.425 -0.352 . . . . 1.02 110.244 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -59.27 -46.66 87.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.751 -0.659 . . . . 0.21 111.055 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -59.3 -49.83 76.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 1.6 110.385 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -56.05 -56.51 19.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.539 . . . . 1.83 111.531 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -61.9 -32.93 73.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.31 -0.405 . . . . 0.44 111.859 -178.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 713' ' ' TYR . . . . . 0.417 ' CD2' HD11 ' A' ' 638' ' ' LEU . 2.7 m-85 -69.07 -40.05 78.7 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.359 -0.537 . . . . 2.95 109.95 173.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 714' ' ' GLN . . . . . 0.7 ' OE1' ' HB ' ' A' ' 643' ' ' THR . 59.8 tp60 -58.79 -37.16 75.71 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.529 0.681 . . . . 1.98 110.299 176.693 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.35 -27.16 27.91 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 109.061 -0.718 . . . . 1.67 109.061 -175.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.58 94.54 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 109.688 -0.486 . . . . 0.25 109.688 172.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 717' ' ' GLU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 644' ' ' ALA . 28.5 mt-10 -63.55 -48.49 77.28 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.755 -0.657 . . . . 2.16 109.756 177.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -59.33 -37.94 79.07 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.593 -0.276 . . . . 2.2 111.058 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -58.43 -54.01 51.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.634 0.254 . . . . 0.37 110.941 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 24.0 m0 -73.42 -30.48 63.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.339 -0.391 . . . . 0.47 111.937 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -73.4 -41.13 63.71 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.854 0.316 . . . . 0.64 111.854 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 722' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' A' ' 724' ' ' GLU . 96.5 mt-30 -86.59 -58.26 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.461 -0.336 . . . . 2.38 111.249 -175.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 66.0 mtm 50.94 34.22 10.17 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.832 0.348 . . . . 2.42 111.243 -176.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 724' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 722' ' ' GLN . 15.1 pt-20 -164.08 33.68 0.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.272 0.558 . . . . 4.88 110.461 -177.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.426 -0.797 . . . . 5.52 109.464 -177.286 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.072 -0.411 . . . . 15.53 112.072 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 36.9 m 61.91 32.09 17.99 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.891 0.476 . . . . 14.35 111.733 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -106.97 -16.4 14.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.992 0.425 . . . . 13.37 110.305 176.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.406 ' HB3' ' HG2' ' A' ' 655' ' ' GLU . 18.4 ptm -77.48 99.25 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.211 -0.449 . . . . 13.3 110.012 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.552 ' HA ' ' SD ' ' A' ' 704' ' ' MET . 51.1 m 61.92 68.79 1.06 Allowed Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.517 -0.765 . . . . 9.26 111.17 -177.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 628' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.05 -14.47 43.64 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.04 2.493 . . . . 7.14 113.081 -175.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.01 29.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.459 0.647 . . . . 7.07 109.982 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 57.37 42.4 24.92 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.35 -0.841 . . . . 8.95 111.18 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 631' ' ' CYS . . . . . 0.456 ' O ' ' HD1' ' A' ' 634' ' ' TRP . 46.4 m -107.46 38.6 2.1 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.835 -0.62 . . . . 4.38 109.583 176.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -85.29 4.67 33.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.467 -0.788 . . . . 4.67 110.392 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 633' ' ' ASP . . . . . 0.467 ' HA ' ' OE1' ' A' ' 636' ' ' GLU . 10.4 p-10 -71.65 -5.23 32.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.364 -0.835 . . . . 5.22 110.768 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 634' ' ' TRP . . . . . 0.456 ' HD1' ' O ' ' A' ' 631' ' ' CYS . 46.4 p-90 -70.02 -25.1 63.41 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.544 -0.539 . . . . 3.28 109.544 176.196 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.49 -43.54 96.97 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.516 -0.766 . . . . 3.12 109.483 175.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 636' ' ' GLU . . . . . 0.467 ' OE1' ' HA ' ' A' ' 633' ' ' ASP . 1.9 mp0 -62.69 -45.73 91.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.587 -0.733 . . . . 5.37 109.732 175.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.12 78.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.626 -0.716 . . . . 2.89 111.384 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.1 -15.21 56.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.439 -0.346 . . . . 2.25 111.584 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -77.71 -33.24 53.16 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.955 -0.387 . . . . 5.62 109.955 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 640' ' ' TRP . . . . . 0.447 ' HD1' ' O ' ' A' ' 636' ' ' GLU . 86.7 m95 -82.98 1.67 38.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 7.07 110.78 177.104 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -75.14 83.25 2.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.839 -0.619 . . . . 5.5 109.753 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -126.85 52.88 1.73 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.483 -0.78 . . . . 4.9 109.556 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.6 p -88.84 -83.61 0.22 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.559 -0.746 . . . . 4.46 111.905 -175.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -125.47 -49.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.857 0.318 . . . . 5.98 111.857 -176.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 87.2 mt -99.16 148.25 24.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.859 0.361 . . . . 8.01 110.649 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -96.92 133.8 41.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.123 -0.49 . . . . 8.8 109.817 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 86.2 mtp -107.83 148.16 29.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.948 0.404 . . . . 12.08 110.368 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 12.4 p -91.04 71.32 6.37 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.087 0.47 . . . . 10.68 110.504 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -79.57 48.84 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.775 0.798 . . . . 13.39 110.885 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 52.3 t -103.74 146.33 28.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.051 -0.977 . . . . 12.15 109.62 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 25.9 t70 59.77 91.86 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.773 0.671 . . . . 13.19 111.426 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -95.36 43.32 1.09 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.129 0.49 . . . . 15.45 109.725 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -76.33 -10.32 85.56 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.687 -0.688 . . . . 13.46 112.642 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -75.66 69.45 2.07 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.833 -0.507 . . . . 12.43 111.833 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.406 ' HG2' ' HB3' ' A' ' 626' ' ' MET . 35.6 mt-10 -84.62 98.77 10.37 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.805 0.336 . . . . 10.98 111.057 -177.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -162.09 136.81 6.95 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.822 -0.626 . . . . 11.8 109.501 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -103.52 116.92 33.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.365 0.602 . . . . 7.39 109.743 176.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -100.77 34.53 5.52 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.918 -0.658 . . . . 5.88 112.987 -175.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 15.1 tpt -112.67 77.88 1.08 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.183 0.516 . . . . 3.98 109.999 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -85.29 -56.31 3.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.972 -0.558 . . . . 6.1 110.185 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 661' ' ' ASP . . . . . 0.416 ' O ' ' HD3' ' A' ' 663' ' ' PRO . 22.6 t70 -167.92 -38.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.141 -0.481 . . . . 3.86 110.579 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -96.7 100.6 7.49 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.866 -0.606 . . . . 3.19 109.813 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 663' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 661' ' ' ASP . 57.0 Cg_endo -75.22 119.88 5.77 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 121.083 1.189 . . . . 0.97 111.292 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -78.5 -28.87 46.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.258 -0.428 . . . . 3.16 111.048 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 665' ' ' TYR . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 705' ' ' LYS . 9.3 p90 -66.48 -34.69 78.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.191 -0.459 . . . . 0.81 111.711 -174.165 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 14.7 mmt -71.35 -38.84 71.6 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.612 -0.435 . . . . 1.17 110.512 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 48.4 ttp -64.89 -49.45 70.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.2 0.524 . . . . 1.2 109.715 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.57 -32.2 73.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.426 -0.806 . . . . 0.82 110.946 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.43 -36.19 58.12 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.871 -0.332 . . . . 0.23 110.371 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -64.12 -42.6 96.8 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.554 -0.535 . . . . 3.33 109.554 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -62.53 -46.6 87.65 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.103 -0.703 . . . . 1.89 109.103 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -59.44 -41.39 89.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.794 -0.639 . . . . 0.23 111.187 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.43 -42.11 99.2 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.19 -0.459 . . . . 1.76 110.183 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 68.9 mtm -67.89 -37.1 81.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.79 110.643 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.565 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.7 mm? -72.34 -30.06 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.711 0.291 . . . . 0.53 111.164 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 676' ' ' PHE . . . . . 0.471 ' CE2' ' HA ' ' A' ' 719' ' ' ALA . 32.4 t80 -82.91 -52.96 6.22 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.948 0.351 . . . . 0.82 111.948 -176.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 47.1 p -80.91 -24.62 38.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.92 0.391 . . . . 1.45 111.919 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 110.26 107.63 3.06 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.988 -0.845 . . . . 1.4 110.988 -175.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -97.81 166.87 22.77 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.505 -0.855 . . . . 2.07 111.888 -176.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.76 74.82 10.41 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.493 0.663 . . . . 5.05 109.582 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 130.17 -13.33 5.74 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 114.916 -1.038 . . . . 1.41 111.02 -173.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -112.23 120.76 42.86 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.056 -0.35 . . . . 1.38 110.056 177.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -73.61 135.69 43.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.483 -0.562 . . . . 2.83 109.483 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 684' ' ' LYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 22.1 ptmt -68.27 128.84 38.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.326 0.584 . . . . 1.72 110.798 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -142.49 102.63 5.49 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.387 -0.824 . . . . 1.68 109.696 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 686' ' ' PRO . . . . . 0.447 ' CB ' ' HG2' ' A' ' 723' ' ' MET . 52.5 Cg_exo -53.97 -31.61 64.35 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.885 2.39 . . . . 0.42 113.33 -176.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 687' ' ' GLN . . . . . 0.46 ' HA ' ' HE1' ' A' ' 720' ' ' TRP . 57.7 tp60 -69.92 -53.22 18.87 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.617 0.246 . . . . 2.21 110.366 -177.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -65.93 -32.23 73.61 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.503 -0.555 . . . . 3.24 109.503 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 40.6 m -54.59 -53.9 48.53 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.043 -0.526 . . . . 1.11 110.46 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.09 -31.79 72.43 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.267 -0.968 . . . . 0.19 111.92 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 691' ' ' ASP . . . . . 0.532 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 37.7 t70 -62.02 -46.04 90.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.25 0.548 . . . . 1.54 109.8 176.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 48.6 mt -71.12 -35.6 71.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.931 -0.577 . . . . 1.35 111.022 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -64.08 -39.63 94.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 1.33 110.668 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 11.8 p -74.38 -34.02 63.22 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.831 -0.348 . . . . 0.31 110.667 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 695' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 77.7 mt-30 -63.79 -44.96 91.81 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.168 -0.678 . . . . 2.13 109.168 172.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.88 95.16 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.429 -0.805 . . . . 0.18 110.952 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.51 79.83 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.792 0.329 . . . . 0.2 110.639 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.11 -48.03 83.53 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.385 -0.598 . . . . 1.84 109.385 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -65.3 -27.96 68.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.054 -0.521 . . . . 0.21 111.027 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.46 -50.72 35.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.09 -0.504 . . . . 0.16 110.548 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -68.37 -26.98 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.934 0.397 . . . . 0.76 110.032 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -68.57 -37.96 80.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.815 -0.629 . . . . 2.58 109.96 174.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.18 18.54 4.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.81 -0.632 . . . . 0.45 111.711 -177.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 704' ' ' MET . . . . . 0.552 ' SD ' ' HA ' ' A' ' 627' ' ' SER . 62.0 mtm 66.1 28.58 10.23 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.283 -0.417 . . . . 2.61 111.398 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 705' ' ' LYS . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 665' ' ' TYR . 73.9 mmtt -113.33 72.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.98 0.419 . . . . 1.59 110.032 -178.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -60.75 -39.27 96.47 Favored Glycine 0 CA--C 1.518 0.257 0 CA-C-N 115.993 -0.549 . . . . 0.47 113.953 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -63.69 -42.93 97.94 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.052 0.453 . . . . 3.9 110.183 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.45 -43.76 98.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.752 -0.658 . . . . 1.02 109.629 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.69 -56.48 21.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.721 -0.672 . . . . 0.21 110.804 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -52.96 -48.65 67.22 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.308 -0.405 . . . . 1.6 110.656 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -54.82 -58.26 8.28 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.012 -0.54 . . . . 1.83 111.084 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -62.97 -28.88 70.39 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.777 0.658 . . . . 0.44 112.777 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -68.39 -47.46 67.29 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.451 -0.5 . . . . 2.95 109.753 173.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -66.1 -23.74 66.56 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.703 -0.68 . . . . 1.98 109.979 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -81.26 -34.74 31.88 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.515 -0.92 . . . . 1.67 108.515 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.17 91.68 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.451 -0.795 . . . . 0.25 110.053 171.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -59.66 -44.29 93.62 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.734 -0.666 . . . . 2.16 110.131 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -54.25 -48.95 70.6 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.117 -0.492 . . . . 2.2 110.319 175.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 719' ' ' ALA . . . . . 0.471 ' HA ' ' CE2' ' A' ' 676' ' ' PHE . . . -55.82 -53.21 59.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.435 -0.348 . . . . 0.37 111.765 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 720' ' ' TRP . . . . . 0.46 ' HE1' ' HA ' ' A' ' 687' ' ' GLN . 24.2 m0 -70.66 -25.83 63.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.425 0.528 . . . . 0.47 112.425 -177.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -82.21 -35.64 28.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.089 0.471 . . . . 0.64 111.748 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 722' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 724' ' ' GLU . 52.0 tt0 -92.39 15.8 13.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.682 -0.69 . . . . 2.38 111.726 -173.137 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 723' ' ' MET . . . . . 0.447 ' HG2' ' CB ' ' A' ' 686' ' ' PRO . 69.3 mtm -52.15 95.18 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.853 0.359 . . . . 2.42 111.434 177.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 724' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 722' ' ' GLN . 11.4 pt-20 -175.84 -161.94 0.09 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.898 -0.592 . . . . 4.88 109.472 -178.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--O 1.25 1.109 0 O-C-N 123.711 0.632 . . . . 5.52 110.755 178.007 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 112.01 -0.436 . . . . 15.53 112.01 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 23.2 m 59.28 42.59 18.11 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 122.486 0.314 . . . . 14.35 110.604 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 41.9 m80 65.14 102.39 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.68 -0.691 . . . . 13.37 110.357 -174.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 95.8 mmm -74.18 71.14 1.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.288 0.566 . . . . 13.3 110.488 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 627' ' ' SER . . . . . 0.417 ' HA ' ' HD3' ' A' ' 628' ' ' PRO . 4.8 p -83.75 117.64 69.21 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.529 -0.76 . . . . 9.26 110.811 -178.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 628' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 627' ' ' SER . 3.1 Cg_exo -74.73 78.85 2.71 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.531 2.154 . . . . 7.14 111.69 176.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -73.98 -18.49 60.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.334 0.588 . . . . 7.07 110.311 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 630' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 630' ' ' ARG . 20.4 mtm180 -80.63 127.93 33.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.71 -0.677 . . . . 8.95 109.828 176.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 5.2 p -79.28 59.4 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.601 0.715 . . . . 4.38 110.546 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 632' ' ' GLN . . . . . 0.427 ' HA ' HD13 ' A' ' 635' ' ' LEU . 10.7 pt20 -150.82 -39.18 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.243 -0.89 . . . . 4.67 110.34 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.26 -42.97 99.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.848 -0.615 . . . . 5.22 111.919 -177.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 634' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -76.08 -20.7 57.48 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.181 -0.608 . . . . 3.28 110.662 -177.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 632' ' ' GLN . 7.4 mp -69.65 -40.19 76.64 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.484 -0.561 . . . . 3.12 109.484 174.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.87 -44.21 90.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.542 -0.754 . . . . 5.37 109.984 176.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.97 76.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.516 -0.765 . . . . 2.89 110.599 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -31.1 72.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.521 -0.763 . . . . 2.25 110.39 177.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -78.98 -33.85 44.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.288 -0.414 . . . . 5.62 111.03 -176.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -91.86 10.37 28.98 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.059 0.392 . . . . 7.07 112.059 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -57.65 144.0 39.35 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.793 -0.447 . . . . 5.5 109.793 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -98.2 134.99 40.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.524 -0.307 . . . . 4.9 110.633 -173.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 643' ' ' THR . . . . . 0.412 ' CA ' ' HG2' ' A' ' 717' ' ' GLU . 7.1 p -91.31 55.5 2.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.299 -0.409 . . . . 4.46 111.778 -177.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . 69.86 -20.03 0.19 Allowed 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.527 0.936 . . . . 5.98 113.527 173.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.91 -19.71 57.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.977 0.417 . . . . 8.01 110.823 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -119.17 162.76 18.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.92 -0.582 . . . . 8.8 109.601 177.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 26.1 ptm -127.15 114.14 17.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.212 0.529 . . . . 12.08 110.281 177.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 40.9 p -125.47 115.11 19.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.967 -0.56 . . . . 10.68 111.473 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -131.36 51.5 2.14 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.205 -1.035 . . . . 13.39 108.205 173.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 21.3 m -92.64 84.05 4.98 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.038 -0.983 . . . . 12.15 111.273 -170.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -160.25 107.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.32 -0.4 . . . . 13.19 110.825 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -96.71 65.8 2.21 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.742 -0.466 . . . . 15.45 109.742 177.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 65.64 47.75 74.11 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.806 -0.712 . . . . 13.46 111.348 -175.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -102.21 -86.74 1.96 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.965 -0.636 . . . . 12.43 113.511 -172.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -78.23 56.52 1.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.23 0.538 . . . . 10.98 112.068 -172.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -101.56 124.5 47.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.83 -0.623 . . . . 11.8 109.892 177.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 657' ' ' ASP . . . . . 0.678 ' OD2' ' HG3' ' A' ' 659' ' ' MET . 3.1 t70 -128.69 138.84 52.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.921 -0.581 . . . . 7.39 110.57 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -134.66 42.15 1.38 Allowed Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 121.044 -0.598 . . . . 5.88 112.168 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 659' ' ' MET . . . . . 0.678 ' HG3' ' OD2' ' A' ' 657' ' ' ASP . 0.0 OUTLIER -62.39 -22.94 66.54 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.94 0.4 . . . . 3.98 111.07 177.308 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.576 ' HG3' ' SD ' ' A' ' 659' ' ' MET . 79.9 mt-30 -130.5 137.71 49.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.029 -0.73 . . . . 6.1 109.029 170.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -96.27 15.8 20.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.241 0.543 . . . . 3.86 110.539 -178.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -115.51 87.5 17.26 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.429 -0.805 . . . . 3.19 109.46 175.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -81.66 118.05 3.1 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 121.422 1.415 . . . . 0.97 112.221 177.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 664' ' ' ARG . . . . . 0.405 ' O ' HD13 ' A' ' 668' ' ' LEU . 53.1 mtp180 -81.01 -42.88 20.43 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.666 0.746 . . . . 3.16 109.922 174.178 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -61.0 -28.03 68.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.725 -1.125 . . . . 0.81 111.659 -176.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 64.1 mtt -75.19 -36.67 61.43 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.039 -0.264 . . . . 1.17 110.711 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 56.2 ttp -69.29 -45.42 69.63 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.431 -0.581 . . . . 1.2 109.431 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 664' ' ' ARG . 10.8 mp -61.8 -38.47 88.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.28 -0.873 . . . . 0.82 110.802 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.46 -32.62 54.55 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 121.012 -0.275 . . . . 0.23 110.417 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -64.03 -43.95 94.01 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.805 -0.443 . . . . 3.33 109.805 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.06 -47.13 86.07 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.125 -0.694 . . . . 1.89 109.125 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.86 -39.8 82.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.635 -0.711 . . . . 0.23 111.39 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -65.33 -45.17 85.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 1.76 110.306 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 72.0 mtm -67.07 -27.63 67.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.817 -0.629 . . . . 0.79 110.407 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 61.6 mt -87.22 -9.49 54.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.478 -0.328 . . . . 0.53 111.432 176.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 676' ' ' PHE . . . . . 0.466 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 63.5 t80 -89.65 -61.23 1.74 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.906 0.384 . . . . 0.82 111.331 178.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 14.0 t -98.99 -7.1 27.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.01 0.433 . . . . 1.45 111.451 -172.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 102.9 118.63 4.49 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.533 -0.841 . . . . 1.4 111.653 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -123.09 -158.39 10.18 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.547 -0.835 . . . . 2.07 112.506 -177.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -76.66 79.83 3.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.984 0.421 . . . . 5.05 110.879 -176.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 92.0 5.89 65.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.905 -0.664 . . . . 1.41 112.621 178.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -101.24 123.48 45.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.126 -0.324 . . . . 1.38 110.126 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.85 137.45 49.44 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.601 -0.518 . . . . 2.83 109.601 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 684' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 14.3 ptmm? -83.33 95.59 8.24 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.92 0.867 . . . . 1.72 111.121 -176.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -113.57 103.42 55.4 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 114.976 -1.011 . . . . 1.68 109.833 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -53.21 -28.51 42.47 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.948 2.432 . . . . 0.42 113.343 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -69.29 -54.88 12.4 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.654 0.264 . . . . 2.21 110.434 -177.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -68.95 -32.44 72.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 3.24 110.024 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 689' ' ' SER . . . . . 0.466 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 27.3 t -54.41 -50.16 68.24 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.746 -0.661 . . . . 1.11 110.249 177.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.71 -33.75 81.39 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.364 -0.922 . . . . 0.19 112.058 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -62.5 -44.82 95.44 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.191 0.52 . . . . 1.54 110.387 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 28.8 mt -72.93 -30.51 63.95 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.582 -0.447 . . . . 1.35 111.23 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -67.71 -37.2 81.92 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.752 -0.379 . . . . 1.33 110.919 174.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 18.0 p -71.3 -40.85 70.57 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.807 -0.357 . . . . 0.31 110.387 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -38.42 91.04 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.302 -0.629 . . . . 2.13 109.302 176.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -63.63 -37.69 88.29 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.534 -0.757 . . . . 0.18 111.078 175.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.43 88.31 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.645 0.259 . . . . 0.2 110.725 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -45.14 91.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 1.84 110.005 175.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -70.58 -30.57 67.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.21 111.04 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -69.74 -48.38 59.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.16 110.704 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -67.88 -28.78 67.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.76 110.113 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.31 -26.29 61.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.328 0.585 . . . . 2.58 109.847 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.74 14.97 10.5 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.748 -0.66 . . . . 0.45 110.622 175.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 75.2 mtp 60.7 35.26 19.77 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.438 -0.801 . . . . 2.61 111.253 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -120.03 80.64 1.62 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.863 -0.608 . . . . 1.59 110.834 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -59.12 -37.9 92.33 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.006 -0.997 . . . . 0.47 113.323 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 707' ' ' ARG . . . . . 0.467 ' O ' ' HG3' ' A' ' 711' ' ' GLN . 50.0 ttp180 -57.6 -49.68 75.63 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 117.19 0.495 . . . . 3.9 110.143 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.08 -47.05 87.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.841 -0.618 . . . . 1.02 110.329 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -59.7 -43.04 94.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.705 -0.68 . . . . 0.21 111.0 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -61.66 -50.31 73.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.6 109.749 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 711' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 707' ' ' ARG . 95.3 mt-30 -57.77 -53.55 56.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.531 . . . . 1.83 110.81 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -60.74 -35.68 76.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.484 . . . . 0.44 112.03 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -66.19 -42.04 89.41 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.257 0.551 . . . . 2.95 109.995 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -66.51 -28.46 68.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.094 -0.957 . . . . 1.98 110.201 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -87.46 -34.88 18.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.618 -0.719 . . . . 1.67 109.393 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.24 91.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.375 0.607 . . . . 0.25 109.951 175.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 717' ' ' GLU . . . . . 0.412 ' HG2' ' CA ' ' A' ' 643' ' ' THR . 12.6 tp10 -68.31 -40.62 81.64 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.265 -0.88 . . . . 2.16 109.142 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -62.47 -41.27 98.66 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.749 -0.659 . . . . 2.2 110.626 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.7 -50.59 72.69 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.017 -0.538 . . . . 0.37 110.913 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -74.27 -27.96 60.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.47 111.371 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -68.4 -36.03 78.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.845 0.355 . . . . 0.64 111.23 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 722' ' ' GLN . . . . . 0.466 ' HG2' ' HG2' ' A' ' 724' ' ' GLU . 49.4 tt0 -70.2 -61.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.158 -0.474 . . . . 2.38 111.651 -176.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 58.6 mtm 28.03 53.58 0.07 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.809 0.844 . . . . 2.42 113.229 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 724' ' ' GLU . . . . . 0.466 ' HG2' ' HG2' ' A' ' 722' ' ' GLN . 13.0 pt-20 -135.75 -4.55 2.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.413 0.625 . . . . 4.88 110.194 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.133 0 N-CA-C 108.39 -0.967 . . . . 5.52 108.39 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 623' ' ' GLY . . . . . 0.404 ' C ' ' HG ' ' A' ' 624' ' ' SER . . . . . . . . 0 N--CA 1.482 1.75 0 N-CA-C 111.894 -0.483 . . . . 15.53 111.894 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 624' ' ' SER . . . . . 0.404 ' HG ' ' C ' ' A' ' 623' ' ' GLY . 81.4 p 53.37 -93.56 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.088 0.955 . . . . 14.35 111.764 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -102.22 -38.28 7.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.163 0.506 . . . . 13.37 109.766 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 626' ' ' MET . . . . . 0.431 ' HB3' ' C ' ' A' ' 654' ' ' GLY . 14.2 tpt -170.17 130.33 0.94 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.213 -0.903 . . . . 13.3 109.228 178.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 26.6 p -69.82 138.68 88.02 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.058 -0.519 . . . . 9.26 110.626 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 628' ' ' PRO . . . . . 0.455 ' HB3' ' SG ' ' A' ' 631' ' ' CYS . 57.3 Cg_exo -53.76 100.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.137 2.558 . . . . 7.14 112.142 175.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -117.6 -29.4 5.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.198 -0.455 . . . . 7.07 111.567 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 630' ' ' ARG . . . . . 0.519 ' HG3' ' H ' ' A' ' 631' ' ' CYS . 34.9 ptt180 -121.24 -56.58 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.174 -0.306 . . . . 8.95 110.174 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 631' ' ' CYS . . . . . 0.529 ' HB3' ' SD ' ' A' ' 704' ' ' MET . 59.4 m 41.95 43.19 2.57 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.097 0.777 . . . . 4.38 113.097 176.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -140.4 8.5 2.22 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.654 -0.418 . . . . 4.67 111.788 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -81.6 -24.71 36.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.896 0.379 . . . . 5.22 110.248 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 634' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -63.44 -28.68 70.14 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.955 -0.566 . . . . 3.28 111.572 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.401 ' H ' HD22 ' A' ' 635' ' ' LEU . 3.5 mm? -55.0 -48.82 72.82 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.381 -0.6 . . . . 3.12 109.381 174.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -74.62 -47.32 32.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.195 -0.911 . . . . 5.37 110.329 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 637' ' ' ALA . . . . . 0.481 ' HA ' ' NE1' ' A' ' 640' ' ' TRP . . . -51.49 -50.22 60.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.864 -0.607 . . . . 2.89 111.861 -176.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.33 -11.23 59.93 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.689 -0.405 . . . . 2.25 111.42 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -78.47 -42.84 28.64 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 121.154 -0.218 . . . . 5.62 110.852 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 640' ' ' TRP . . . . . 0.481 ' NE1' ' HA ' ' A' ' 637' ' ' ALA . 38.2 p-90 -89.62 -10.63 45.24 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.888 -0.325 . . . . 7.07 111.253 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 641' ' ' TYR . . . . . 0.46 ' OH ' ' HB2' ' A' ' 714' ' ' GLN . 37.0 t80 -78.98 90.94 4.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.056 0.455 . . . . 5.5 110.242 -178.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -129.02 58.31 1.6 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.833 -0.621 . . . . 4.9 109.523 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 4.8 t -146.18 139.23 25.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.018 -0.537 . . . . 4.46 111.163 -174.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 644' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 717' ' ' GLU . . . -89.36 -17.42 28.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.892 -0.594 . . . . 5.98 110.945 177.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 78.8 mt -140.02 79.49 1.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.192 -0.458 . . . . 8.01 111.436 -172.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -144.05 145.18 32.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.043 0.449 . . . . 8.8 110.521 173.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.95 55.66 3.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.471 -0.786 . . . . 12.08 111.034 -178.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.2 p -69.55 128.62 37.13 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.022 -0.535 . . . . 10.68 111.407 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -88.34 75.5 8.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.897 -0.592 . . . . 13.39 110.407 -178.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 59.9 m -110.22 54.6 0.66 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.719 -0.673 . . . . 12.15 109.327 175.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -73.01 152.74 41.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.126 -0.943 . . . . 13.19 111.386 -173.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -81.82 10.93 5.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.691 -0.686 . . . . 15.45 111.697 -175.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -86.56 9.39 71.21 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.009 -0.615 . . . . 13.46 112.27 177.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 654' ' ' GLY . . . . . 0.431 ' C ' ' HB3' ' A' ' 626' ' ' MET . . . -96.82 -138.18 9.89 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.895 -0.669 . . . . 12.43 111.645 177.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.42 102.36 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.266 0.555 . . . . 10.98 110.489 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -107.15 98.05 7.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.647 -0.706 . . . . 11.8 110.666 -175.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 657' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' ' 658' ' ' GLY . 8.7 t70 -166.85 -154.92 0.18 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.369 -0.604 . . . . 7.39 109.369 178.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 658' ' ' GLY . . . . . 0.439 ' H ' ' CG ' ' A' ' 657' ' ' ASP . . . 65.15 40.27 96.73 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.187 -0.53 . . . . 5.88 111.907 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 10.4 tpt -89.9 78.34 6.81 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.369 0.604 . . . . 3.98 110.655 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 660' ' ' GLN . . . . . 0.427 ' OE1' ' HA ' ' A' ' 663' ' ' PRO . 2.6 pt20 -52.63 139.59 25.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.709 -1.132 . . . . 6.1 110.415 174.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.82 -32.59 71.96 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.212 -0.904 . . . . 3.86 111.266 -174.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -118.12 91.55 40.43 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.136 -0.69 . . . . 3.19 109.136 174.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 663' ' ' PRO . . . . . 0.427 ' HA ' ' OE1' ' A' ' 660' ' ' GLN . 33.7 Cg_endo -68.21 119.33 6.33 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 121.225 1.283 . . . . 0.97 111.352 -178.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -78.18 -34.78 49.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.59 -0.732 . . . . 3.16 110.746 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -64.95 -34.25 77.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.726 -0.67 . . . . 0.81 111.84 -175.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 62.1 mtt -69.56 -42.14 74.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.723 0.296 . . . . 1.17 110.758 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 58.5 ttp -69.59 -42.35 74.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.015 0.436 . . . . 1.2 109.983 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.94 -33.47 76.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.82 110.967 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -78.02 -34.65 50.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 0.23 110.066 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -59.39 -46.62 88.17 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.364 -0.606 . . . . 3.33 109.364 173.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.54 -48.01 81.38 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.436 -0.802 . . . . 1.89 109.2 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -58.23 -39.71 79.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.659 -0.701 . . . . 0.23 111.779 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.29 -39.2 82.16 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 110.042 -0.355 . . . . 1.76 110.042 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 66.0 mtm -68.02 -29.53 68.55 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.409 -0.36 . . . . 0.79 110.283 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.545 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.4 mm? -80.18 -26.75 39.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.737 0.303 . . . . 0.53 110.899 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 676' ' ' PHE . . . . . 0.539 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 28.6 t80 -79.24 -61.22 2.08 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.901 -0.32 . . . . 0.82 111.059 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 41.2 p -81.74 -32.54 31.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.949 0.404 . . . . 1.45 111.606 -173.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 119.42 115.42 2.56 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.7 -0.96 . . . . 1.4 110.7 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -95.9 24.35 30.19 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.218 -0.991 . . . . 2.07 113.424 -172.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 46.56 54.83 8.29 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.726 0.774 . . . . 5.05 110.101 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 142.79 -26.39 2.23 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.134 -1.186 . . . . 1.41 110.134 -171.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -104.67 120.65 41.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.302 -0.999 . . . . 1.38 108.302 169.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -75.99 130.72 38.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.067 0.46 . . . . 2.83 110.751 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 684' ' ' LYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 0.2 OUTLIER -65.3 131.78 47.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.308 -0.86 . . . . 1.72 111.04 -176.593 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -153.77 99.68 2.58 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.264 -0.88 . . . . 1.68 109.676 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.37 -32.45 42.15 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.95 2.433 . . . . 0.42 113.338 -179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -67.04 -55.09 15.87 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 120.698 0.285 . . . . 2.21 110.523 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -69.1 -32.4 71.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.673 -0.492 . . . . 3.24 109.673 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 689' ' ' SER . . . . . 0.539 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 32.3 t -55.52 -51.59 66.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.919 -0.582 . . . . 1.11 110.425 176.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.86 -30.59 67.96 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 120.272 -0.966 . . . . 0.19 111.668 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.61 -42.49 95.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.292 0.567 . . . . 1.54 109.82 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 65.1 mt -70.48 -35.44 73.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.076 -0.511 . . . . 1.35 110.682 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 693' ' ' TYR . . . . . 0.418 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 9.6 m-85 -66.82 -36.89 83.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.751 -0.204 . . . . 1.33 111.018 176.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 11.8 p -72.54 -36.34 68.26 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.667 -0.413 . . . . 0.31 110.326 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -63.39 -42.63 98.8 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.398 -0.593 . . . . 2.13 109.398 172.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.25 91.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.638 -0.71 . . . . 0.18 110.899 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.13 -37.01 84.65 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 110.393 -0.225 . . . . 0.2 110.393 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.76 -50.85 72.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 1.84 109.927 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -65.49 -28.33 69.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.21 111.175 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.26 -50.46 27.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.195 -0.457 . . . . 0.16 110.815 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -66.89 -29.24 69.08 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.116 -0.328 . . . . 0.76 110.116 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -64.29 -39.04 93.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.968 -0.56 . . . . 2.58 110.299 174.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.61 21.53 3.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.559 -0.746 . . . . 0.45 111.287 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 704' ' ' MET . . . . . 0.529 ' SD ' ' HB3' ' A' ' 631' ' ' CYS . 21.7 mmt 60.21 31.79 20.62 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.301 0.572 . . . . 2.61 111.198 176.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -106.05 71.24 0.88 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.931 -0.577 . . . . 1.59 109.876 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -51.11 -51.68 34.53 Favored Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.496 -0.775 . . . . 0.47 113.679 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -60.72 -41.94 96.28 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 117.031 0.415 . . . . 3.9 110.987 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.22 -48.19 81.1 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.843 -0.429 . . . . 1.02 109.843 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.32 -51.07 70.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.21 110.808 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -52.99 -52.71 57.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.867 -0.606 . . . . 1.6 110.944 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -59.14 -55.61 32.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.098 -0.501 . . . . 1.83 111.513 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -57.6 -34.81 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.706 0.262 . . . . 0.44 111.706 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -72.42 -42.33 65.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 119.989 -0.685 . . . . 2.95 110.117 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 714' ' ' GLN . . . . . 0.46 ' HB2' ' OH ' ' A' ' 641' ' ' TYR . 63.4 tt0 -64.26 -25.43 68.05 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.481 0.658 . . . . 1.98 110.007 176.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -83.19 -34.56 25.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.437 -0.802 . . . . 1.67 108.945 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -61.2 -48.54 81.07 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.89 -0.595 . . . . 0.25 109.782 171.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 717' ' ' GLU . . . . . 0.574 ' HB3' ' HB2' ' A' ' 644' ' ' ALA . 6.2 mm-40 -60.47 -43.76 96.59 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.264 -0.88 . . . . 2.16 110.818 177.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.99 -44.17 94.7 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.12 0.262 . . . . 2.2 110.519 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.61 -51.63 67.93 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.295 -0.412 . . . . 0.37 111.036 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 720' ' ' TRP . . . . . 0.437 ' O ' ' HG3' ' A' ' 723' ' ' MET . 30.4 m0 -70.36 -33.27 71.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.47 111.689 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -70.38 -36.19 73.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.52 0.2 . . . . 0.64 111.289 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -71.06 -60.33 2.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.562 -0.29 . . . . 2.38 111.523 -177.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 723' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' ' 720' ' ' TRP . 69.2 mtm 34.59 51.69 0.5 Allowed 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.3 0.852 . . . . 2.42 113.3 -178.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -149.13 39.16 0.83 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.175 0.512 . . . . 4.88 111.822 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 725' ' ' GLU . . . . . 0.528 ' O ' ' HE3' ' A' ' 684' ' ' LYS . 26.4 tt0 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.475 -0.774 . . . . 5.52 109.394 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 N-CA-C 111.611 -0.596 . . . . 15.53 111.611 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 18.1 m -119.0 127.76 53.75 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.053 -0.351 . . . . 14.35 110.053 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 625' ' ' HIS . . . . . 0.413 ' HB2' ' OH ' ' A' ' 656' ' ' TYR . 55.2 p-80 -107.87 117.61 34.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.041 0.448 . . . . 13.37 110.365 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -79.71 93.3 5.53 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.068 -0.514 . . . . 13.3 110.269 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 11.1 p -104.29 141.87 23.42 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.883 -0.599 . . . . 9.26 109.84 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 628' ' ' PRO . . . . . 0.849 ' HA ' ' SG ' ' A' ' 631' ' ' CYS . 85.9 Cg_endo -77.78 50.17 3.17 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.939 2.426 . . . . 7.14 112.263 -178.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.66 -42.91 27.35 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.8 -0.637 . . . . 7.07 111.539 -174.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -140.44 40.32 1.89 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.776 0.322 . . . . 8.95 110.885 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 631' ' ' CYS . . . . . 0.849 ' SG ' ' HA ' ' A' ' 628' ' ' PRO . 12.0 p -131.57 62.99 1.62 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.337 0.589 . . . . 4.38 110.721 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -114.3 -4.73 12.98 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.919 -0.582 . . . . 4.67 110.878 -178.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -81.89 -30.45 31.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 5.22 111.486 -175.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 634' ' ' TRP . . . . . 0.426 ' CZ3' ' HA2' ' A' ' 706' ' ' GLY . 59.5 p-90 -67.35 -24.23 65.69 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.858 -0.337 . . . . 3.28 111.406 -174.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 635' ' ' LEU . . . . . 0.448 ' H ' HD12 ' A' ' 635' ' ' LEU . 5.7 mp -68.11 -39.13 82.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.346 0.593 . . . . 3.12 110.142 177.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -77.55 -37.79 49.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.674 -0.694 . . . . 5.37 110.233 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.71 -44.25 93.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.803 -0.635 . . . . 2.89 110.254 175.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 20.5 tp -69.33 -19.26 63.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.646 -0.707 . . . . 2.25 111.256 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -70.09 -31.25 68.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.073 0.463 . . . . 5.62 109.978 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -92.3 8.51 38.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.934 -0.575 . . . . 7.07 110.885 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -69.39 127.34 32.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.534 . . . . 5.5 110.569 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 642' ' ' ASN . . . . . 0.446 ' HA ' ' OE1' ' A' ' 717' ' ' GLU . 3.4 t-20 -160.33 87.25 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 4.9 109.959 177.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 643' ' ' THR . . . . . 0.496 ' HB ' ' HB3' ' A' ' 646' ' ' GLU . 22.9 p -98.75 -12.76 20.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.198 -0.456 . . . . 4.46 111.185 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . 70.2 -61.4 0.46 Allowed 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 123.558 0.743 . . . . 5.98 111.449 -177.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 29.9 tp -154.05 52.98 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.064 0.459 . . . . 8.01 111.005 -176.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 646' ' ' GLU . . . . . 0.496 ' HB3' ' HB ' ' A' ' 643' ' ' THR . 32.1 tt0 -126.43 140.96 52.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.775 -0.454 . . . . 8.8 109.775 176.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 26.8 ptm -84.13 134.1 34.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.974 0.416 . . . . 12.08 110.347 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 25.6 p -136.58 105.94 6.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.95 -0.568 . . . . 10.68 110.632 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -130.91 72.1 1.49 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.497 0.665 . . . . 13.39 110.107 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 95.0 m -143.16 62.7 1.39 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.323 -0.853 . . . . 12.15 109.147 175.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -131.37 93.59 3.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.84 -0.618 . . . . 13.19 110.686 -174.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.25 56.1 1.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.132 0.491 . . . . 15.45 110.596 176.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -125.91 106.22 0.85 Allowed Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.862 -0.608 . . . . 13.46 111.792 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -153.58 59.53 0.4 Allowed Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 111.493 -0.643 . . . . 12.43 111.493 -178.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 655' ' ' GLU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 704' ' ' MET . 2.2 mp0 -77.52 125.02 28.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.985 0.421 . . . . 10.98 110.309 -176.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 656' ' ' TYR . . . . . 0.413 ' OH ' ' HB2' ' A' ' 625' ' ' HIS . 6.1 p90 -86.87 51.39 2.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.685 0.755 . . . . 11.8 111.092 -176.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -129.53 103.08 6.68 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.243 -0.889 . . . . 7.39 109.201 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 109.73 9.42 24.82 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.726 -0.75 . . . . 5.88 111.239 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 13.6 tpt -87.73 101.36 13.6 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.074 0.464 . . . . 3.98 110.548 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -73.69 139.95 45.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.738 -0.665 . . . . 6.1 109.379 172.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -67.75 -22.85 65.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 3.86 111.095 -171.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -99.17 93.48 2.16 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 108.978 -0.749 . . . . 3.19 108.978 170.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -73.74 122.73 7.99 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.036 1.824 . . . . 0.97 112.395 -174.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 664' ' ' ARG . . . . . 0.424 ' O ' HD13 ' A' ' 668' ' ' LEU . 79.9 mtt180 -77.05 -34.75 57.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 3.16 110.937 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -62.76 -31.08 71.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.449 . . . . 0.81 111.974 -174.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 13.2 mmt -72.08 -36.26 69.47 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.45 -0.5 . . . . 1.17 110.614 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 60.1 ttp -70.63 -47.02 62.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.223 0.535 . . . . 1.2 109.573 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 668' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 664' ' ' ARG . 10.1 mp -63.12 -36.91 85.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.434 -0.803 . . . . 0.82 110.693 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.6 -34.53 53.47 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 121.089 -0.244 . . . . 0.23 110.372 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -64.77 -42.71 94.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.809 -0.441 . . . . 3.33 109.809 175.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -66.32 -42.97 87.47 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.404 -0.591 . . . . 1.89 109.404 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 672' ' ' ALA . . . . . 0.421 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -58.03 -39.52 78.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.23 110.93 174.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -63.44 -44.69 93.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.663 -0.699 . . . . 1.76 110.005 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.0 mtm -71.55 -20.42 62.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.71 -0.677 . . . . 0.79 110.554 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 675' ' ' LEU . . . . . 0.515 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.4 mm? -85.56 -22.77 27.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.514 -0.312 . . . . 0.53 110.611 175.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 676' ' ' PHE . . . . . 0.45 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 24.8 t80 -81.92 -58.61 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.949 -0.3 . . . . 0.82 110.935 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 21.3 p -89.61 -15.97 31.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.971 0.415 . . . . 1.45 111.545 -176.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 83.56 165.03 37.59 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.912 -0.661 . . . . 1.4 112.313 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 119.31 169.41 14.28 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.716 -0.754 . . . . 2.07 112.308 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 59.34 27.25 16.29 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 122.696 0.398 . . . . 5.05 111.636 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 92.01 -5.3 78.8 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.552 -0.832 . . . . 1.41 112.503 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -97.2 132.08 43.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.829 0.347 . . . . 1.38 110.393 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -91.39 135.21 33.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.092 -0.503 . . . . 2.83 109.7 175.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 684' ' ' LYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 0.3 OUTLIER -59.54 133.54 56.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.223 0.535 . . . . 1.72 111.625 -178.547 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -154.88 101.76 2.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.472 -0.786 . . . . 1.68 109.362 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.02 -31.82 55.32 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.091 2.527 . . . . 0.42 113.763 -177.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -68.87 -54.54 15.06 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.266 0.555 . . . . 2.21 110.367 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -67.72 -34.65 77.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.401 -0.818 . . . . 3.24 109.521 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 689' ' ' SER . . . . . 0.45 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 25.1 t -55.52 -52.4 63.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.523 -0.762 . . . . 1.11 110.437 176.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.45 -32.9 71.82 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.144 -1.026 . . . . 0.19 111.973 -178.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -63.49 -46.59 85.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.048 0.451 . . . . 1.54 109.891 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.13 -36.83 80.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.089 -0.505 . . . . 1.35 110.939 178.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 693' ' ' TYR . . . . . 0.421 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 5.4 m-85 -65.85 -37.73 86.96 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.607 0.241 . . . . 1.33 111.11 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 7.0 p -72.94 -35.75 67.05 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.572 -0.451 . . . . 0.31 110.555 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -66.81 -40.82 88.18 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.261 0.553 . . . . 2.13 109.861 174.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.21 97.38 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.768 -0.651 . . . . 0.18 110.623 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.76 -33.92 76.69 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.884 0.373 . . . . 0.2 110.309 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.7 -48.94 79.68 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.85 -0.614 . . . . 1.84 109.799 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.84 -25.96 65.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.21 110.926 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.27 -46.31 50.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 0.16 110.83 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -71.32 -23.77 62.0 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.258 -0.275 . . . . 0.76 110.258 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -60.92 -39.47 89.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.35 0.595 . . . . 2.58 110.027 171.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -83.68 9.84 10.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.455 -0.793 . . . . 0.45 110.302 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 704' ' ' MET . . . . . 0.407 ' HB3' ' HB2' ' A' ' 655' ' ' GLU . 97.8 mmm 59.75 32.31 21.32 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.438 -0.801 . . . . 2.61 111.186 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -102.71 80.43 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.875 -0.602 . . . . 1.59 109.966 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 706' ' ' GLY . . . . . 0.426 ' HA2' ' CZ3' ' A' ' 634' ' ' TRP . . . -58.34 -41.54 95.15 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.194 -0.912 . . . . 0.47 113.785 -175.023 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -62.58 -47.65 82.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 117.032 0.416 . . . . 3.9 110.981 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 36.6 mt -64.87 -44.65 89.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 1.02 110.26 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.39 -45.95 83.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.768 -0.651 . . . . 0.21 110.612 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -64.16 -44.63 91.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 1.6 110.267 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -56.14 -54.25 47.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.968 0.413 . . . . 1.83 110.923 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -64.9 -30.67 71.67 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.177 0.436 . . . . 0.44 112.177 -178.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -68.05 -42.6 80.27 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.343 -0.543 . . . . 2.95 109.681 171.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -61.02 -29.06 69.49 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.485 -0.78 . . . . 1.98 110.345 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.9 tptm -82.85 -34.17 26.89 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.387 -0.824 . . . . 1.67 109.008 -177.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.62 81.87 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.036 -0.529 . . . . 0.25 109.783 172.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 717' ' ' GLU . . . . . 0.446 ' OE1' ' HA ' ' A' ' 642' ' ' ASN . 10.6 mm-40 -50.75 -53.47 31.36 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.408 -0.814 . . . . 2.16 110.182 173.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -57.83 -43.61 85.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.921 -0.581 . . . . 2.2 111.332 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.0 77.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.37 111.276 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -77.18 -28.49 54.04 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.813 -0.355 . . . . 0.47 111.728 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -71.52 -39.46 70.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.284 -0.26 . . . . 0.64 111.582 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -59.91 -62.07 2.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.528 -0.305 . . . . 2.38 111.07 -174.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 60.3 mtm 24.21 51.5 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.413 1.071 . . . . 2.42 113.768 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.7 10.67 3.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.606 0.717 . . . . 4.88 110.0 176.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--O 1.246 0.913 0 CA-C-N 115.034 -0.985 . . . . 5.52 108.851 -179.056 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . 0.533 ' HB3' ' HB3' ' A' ' 699' ' ' ALA . 7.1 p90 . . . . . 0 C--O 1.226 -0.17 0 N-CA-C 111.747 0.277 . . . . 0.81 111.747 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 61.0 mtt -73.32 -36.98 66.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.801 0.334 . . . . 1.17 110.23 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 52.9 ttp -68.31 -46.75 69.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.721 -0.474 . . . . 1.2 109.721 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.98 -36.88 85.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.426 -0.806 . . . . 0.82 110.916 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -78.76 -32.09 46.46 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.688 0.28 . . . . 0.23 110.466 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . 0.448 ' O ' ' HG3' ' A' ' 674' ' ' MET . 12.9 tpp180 -65.38 -44.43 87.59 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.678 -0.49 . . . . 3.33 109.678 176.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . 0.418 ' O ' HD23 ' A' ' 675' ' ' LEU . 34.7 tt0 -66.11 -42.58 89.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.492 -0.559 . . . . 1.89 109.492 176.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.15 -40.01 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.23 111.126 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.56 -39.06 91.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.922 -0.581 . . . . 1.76 109.924 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 670' ' ' ARG . 61.0 mtt -66.36 -29.45 69.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.819 -0.628 . . . . 0.79 110.66 176.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 671' ' ' GLU . 4.6 mm? -85.72 -14.66 44.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.769 0.319 . . . . 0.53 110.499 177.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 36.0 t80 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.317 -0.401 . . . . 0.82 110.801 -179.155 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 C--O 1.233 0.235 0 N-CA-C 109.553 -0.536 . . . . 1.68 109.553 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 719' ' ' ALA . 62.1 Cg_exo -53.39 -31.42 57.36 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.961 2.441 . . . . 0.42 113.584 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -69.66 -55.18 10.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.554 -0.294 . . . . 2.21 110.385 -176.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -67.42 -34.34 77.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.725 -0.472 . . . . 3.24 109.725 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 17.2 t -55.62 -50.77 69.28 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.683 -0.69 . . . . 1.11 110.326 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.34 -35.63 82.73 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.374 -0.917 . . . . 0.19 112.5 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -65.19 -36.78 85.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.155 0.502 . . . . 1.54 110.487 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 38.1 mt -73.53 -38.3 65.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.258 -0.428 . . . . 1.35 110.687 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -69.32 -34.62 74.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.692 -0.231 . . . . 1.33 111.554 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 21.9 p -69.87 -39.65 76.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.915 0.388 . . . . 0.31 110.173 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -65.27 -42.19 93.46 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.01 -0.541 . . . . 2.13 109.89 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.83 89.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.821 -0.627 . . . . 0.18 110.795 177.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.6 91.64 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.475 0.179 . . . . 0.2 110.901 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.18 -46.81 87.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 1.84 110.171 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 665' ' ' TYR . . . -70.77 -29.14 65.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.807 -0.633 . . . . 0.21 110.974 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.48 -48.84 37.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 0.16 111.172 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -69.02 -23.23 64.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.024 0.44 . . . . 0.76 110.05 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -69.57 -33.05 72.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.822 -0.626 . . . . 2.58 109.994 174.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -87.6 19.43 3.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.666 -0.697 . . . . 0.45 111.152 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 77.9 mtp 68.07 13.57 9.14 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.744 -0.662 . . . . 2.61 111.564 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . 0.509 ' HD3' HD12 ' A' ' 708' ' ' LEU . 55.1 mttm -106.61 85.1 2.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.194 0.521 . . . . 1.59 111.233 -178.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -63.75 -35.17 91.67 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.43 -0.804 . . . . 0.47 113.495 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 707' ' ' ARG . 5.1 tpm_? -60.24 -46.18 90.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.067 0.433 . . . . 3.9 110.745 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . 0.509 HD12 ' HD3' ' A' ' 705' ' ' LYS . 44.3 mt -65.08 -45.26 85.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 1.02 110.597 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.09 -43.76 82.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.972 -0.558 . . . . 0.21 110.489 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -62.49 -49.91 73.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.485 -0.78 . . . . 1.6 111.052 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -61.79 -49.76 75.05 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.673 0.249 . . . . 1.83 111.673 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -60.51 -34.29 73.87 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.895 -0.322 . . . . 0.44 111.266 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -72.18 -37.1 69.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.597 -0.52 . . . . 2.95 109.597 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.28 -31.38 70.18 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.467 -0.788 . . . . 1.98 109.798 174.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -84.71 -31.18 24.2 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.246 -0.888 . . . . 1.67 108.761 -174.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.54 94.82 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.359 -0.837 . . . . 0.25 109.911 175.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -65.48 -43.97 88.58 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.64 -0.709 . . . . 2.16 110.312 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -57.85 -43.22 85.74 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.794 0.331 . . . . 2.2 110.935 176.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 686' ' ' PRO . . . -55.07 -49.91 70.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.863 -0.608 . . . . 0.37 110.927 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 41.1 m0 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.396 -0.366 . . . . 0.47 111.432 179.839 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 4.5 p90 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.731 0.3 . . . . 0.81 111.673 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 68.4 mtt -73.26 -36.02 66.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.025 0.441 . . . . 1.17 109.954 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -71.38 -45.97 61.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.93 -0.767 . . . . 1.2 108.93 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.47 -39.12 82.67 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.829 -0.623 . . . . 0.82 110.733 176.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -74.24 -34.97 63.82 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 120.887 0.375 . . . . 0.23 110.336 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -65.17 -41.89 94.22 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.179 -0.464 . . . . 3.33 109.864 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . 0.458 ' O ' HD23 ' A' ' 675' ' ' LEU . 37.4 tt0 -64.99 -43.94 90.92 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.953 -0.758 . . . . 1.89 108.953 177.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.74 73.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.23 111.319 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.02 -39.35 87.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 1.76 110.536 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 72.4 mtm -71.34 -23.65 61.96 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-O 120.78 0.324 . . . . 0.79 110.572 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 671' ' ' GLU . 3.5 mm? -82.78 -27.5 30.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.568 -0.287 . . . . 0.53 110.629 176.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . 0.454 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 32.9 t80 . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 120.709 0.29 . . . . 0.82 111.009 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 . . . . . 0 C--O 1.235 0.337 0 N-CA-C 110.254 -0.276 . . . . 1.68 110.254 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -52.3 -31.47 46.95 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.909 2.406 . . . . 0.42 113.286 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -55.1 19.19 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.523 -0.547 . . . . 2.21 109.523 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -67.77 -29.4 68.59 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.004 -0.543 . . . . 3.24 109.832 -177.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . 0.454 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 23.1 t -56.0 -51.51 67.51 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.065 -0.516 . . . . 1.11 110.302 175.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.29 -31.74 68.75 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.053 -1.07 . . . . 0.19 111.73 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.577 ' O ' ' HG2' ' A' ' 695' ' ' GLN . 18.1 t70 -60.15 -49.15 78.79 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 109.426 -0.583 . . . . 1.54 109.426 176.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.06 -35.94 79.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.659 -0.701 . . . . 1.35 111.418 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.62 -35.62 77.54 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.707 -0.397 . . . . 1.33 111.238 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 4.8 p -72.14 -38.73 69.16 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.389 -0.525 . . . . 0.31 110.302 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 691' ' ' ASP . 17.0 mm100 -63.77 -41.9 97.89 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.443 -0.577 . . . . 2.13 109.443 175.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -62.88 -40.08 96.42 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.587 -0.733 . . . . 0.18 110.778 176.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.16 82.64 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.624 0.25 . . . . 0.2 110.342 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.69 -51.93 66.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.91 -0.404 . . . . 1.84 109.91 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -63.75 -27.81 69.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.21 110.896 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.36 -51.08 18.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.178 -0.464 . . . . 0.16 110.733 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -66.71 -33.02 74.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.614 -0.266 . . . . 0.76 110.886 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -73.89 -26.25 60.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 2.58 110.552 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -88.7 17.2 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.45 110.93 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 74.4 mtp 64.64 27.47 13.22 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.861 -0.609 . . . . 2.61 111.576 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . 0.439 ' HB3' ' HB2' ' A' ' 708' ' ' LEU . 71.5 mmtt -106.33 74.08 1.01 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.736 0.303 . . . . 1.59 110.473 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -52.79 -50.95 47.72 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.718 -0.674 . . . . 0.47 113.627 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -59.35 -45.1 92.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.359 . . . . 3.9 111.305 -178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 705' ' ' LYS . 4.0 mm? -61.54 -47.32 86.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.5 . . . . 1.02 110.097 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.19 88.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.517 -0.765 . . . . 0.21 110.632 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -59.71 -53.69 55.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 1.6 109.855 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -55.17 -58.2 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.354 -0.839 . . . . 1.83 111.063 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -65.37 -31.53 72.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.141 0.423 . . . . 0.44 112.141 -174.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -70.27 -45.61 66.04 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.171 -0.677 . . . . 2.95 109.171 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -66.3 -24.46 66.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.309 -0.86 . . . . 1.98 110.345 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -81.1 -32.23 33.95 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.696 -0.853 . . . . 1.67 108.696 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.9 -49.39 72.86 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.866 -0.606 . . . . 0.25 109.469 171.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -54.23 -46.41 72.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.168 -0.924 . . . . 2.16 110.213 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.6 -44.71 95.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 2.2 110.809 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.35 -45.89 83.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.37 111.076 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 33.7 m0 . . . . . 0 C--N 1.326 -0.427 0 C-N-CA 120.78 -0.368 . . . . 0.47 111.775 179.041 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 7.7 p90 . . . . . 0 N--CA 1.456 -0.151 0 N-CA-C 111.984 0.364 . . . . 0.81 111.984 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 61.2 mtt -76.6 -40.02 50.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.768 0.318 . . . . 1.17 110.632 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -69.68 -42.67 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.956 -0.757 . . . . 1.2 108.956 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.474 HD23 ' HG3' ' A' ' 695' ' ' GLN . 7.1 mp -62.4 -39.56 93.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.234 -0.894 . . . . 0.82 110.78 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.18 -35.68 61.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 120.834 -0.347 . . . . 0.23 110.578 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 47.6 ttp85 -67.16 -38.07 84.85 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.508 -0.553 . . . . 3.33 109.508 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.72 -45.48 82.54 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.05 -0.722 . . . . 1.89 109.05 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.406 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -57.0 -39.15 74.15 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.804 -0.634 . . . . 0.23 111.064 175.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.13 -41.69 97.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 1.76 110.488 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 75.8 mtm -70.34 -24.53 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.79 110.429 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.575 HD11 ' NH1' ' A' ' 688' ' ' ARG . 3.5 mm? -80.21 -30.19 38.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.856 0.36 . . . . 0.53 110.842 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . 0.47 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 24.7 t80 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.461 -0.336 . . . . 0.82 111.473 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 16.6 t70 . . . . . 0 N--CA 1.457 -0.122 0 N-CA-C 110.355 -0.239 . . . . 1.68 110.355 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.7 -31.76 62.2 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.918 2.412 . . . . 0.42 113.066 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -66.73 -53.92 28.32 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 110.052 -0.351 . . . . 2.21 110.052 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . 0.575 ' NH1' HD11 ' A' ' 675' ' ' LEU . 25.3 ttm180 -68.48 -33.91 75.0 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.573 -0.528 . . . . 3.24 109.573 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . 0.47 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 22.0 t -54.78 -53.14 59.05 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.08 -0.509 . . . . 1.11 110.262 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.05 -31.27 72.16 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.196 -1.002 . . . . 0.19 111.839 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.35 -45.29 93.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.196 0.522 . . . . 1.54 110.048 176.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 60.1 mt -71.4 -34.24 70.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.725 -0.671 . . . . 1.35 110.716 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . 0.406 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 9.2 m-85 -69.18 -37.31 78.09 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.978 -0.289 . . . . 1.33 111.393 176.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 8.3 p -73.37 -36.07 66.04 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.726 -0.39 . . . . 0.31 110.355 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . 0.474 ' HG3' HD23 ' A' ' 668' ' ' LEU . 8.2 tp-100 -65.38 -41.49 93.7 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.178 -0.675 . . . . 2.13 109.178 174.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.16 96.39 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.643 -0.708 . . . . 0.18 110.814 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.04 -35.74 80.54 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.863 0.363 . . . . 0.2 110.142 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.06 -47.89 82.69 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.972 -0.558 . . . . 1.84 109.807 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.35 -27.25 66.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.018 0.437 . . . . 0.21 110.878 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.23 -49.36 35.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.161 -0.472 . . . . 0.16 110.723 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -68.22 -28.55 67.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.995 0.426 . . . . 0.76 109.946 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -65.55 -40.69 93.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.86 -0.609 . . . . 2.58 110.193 175.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -90.28 17.85 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.689 -0.687 . . . . 0.45 111.891 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 50.8 ttm 62.78 49.57 3.66 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.406 0.622 . . . . 2.61 110.777 176.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -124.94 85.07 2.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.198 -0.455 . . . . 1.59 110.066 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -60.54 -52.17 54.22 Favored Glycine 0 CA--C 1.518 0.276 0 CA-C-N 115.936 -0.575 . . . . 0.47 113.288 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 35.5 ttp85 -61.85 -39.06 90.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.986 0.393 . . . . 3.9 111.056 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.7 -49.07 74.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.456 -0.338 . . . . 1.02 110.142 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.74 -48.37 81.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.875 -0.602 . . . . 0.21 110.769 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -57.36 -52.65 64.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.972 -0.558 . . . . 1.6 110.329 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -55.14 -55.42 31.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.881 0.372 . . . . 1.83 111.301 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -62.5 -32.08 72.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.07 0.396 . . . . 0.44 112.07 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -72.57 -37.81 68.08 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.218 -0.593 . . . . 2.95 109.813 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -66.38 -27.63 68.01 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.657 0.741 . . . . 1.98 109.847 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -83.5 -32.13 26.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.11 -0.95 . . . . 1.67 109.108 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.32 -48.18 76.59 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 109.573 -0.529 . . . . 0.25 109.573 171.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -51.41 -52.61 44.53 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.219 -0.901 . . . . 2.16 110.141 173.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.34 -42.99 96.84 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.403 -0.362 . . . . 2.2 111.462 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.62 74.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.697 0.284 . . . . 0.37 111.064 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 32.9 m0 . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.312 -0.404 . . . . 0.47 111.881 -179.231 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 1.6 p90 . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.601 0.239 . . . . 0.81 111.371 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 55.7 mtt -71.76 -33.18 68.43 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.931 -0.308 . . . . 1.17 110.428 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . 0.455 ' HG3' ' NH2' ' A' ' 670' ' ' ARG . 56.7 ttp -70.56 -45.06 66.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.045 0.45 . . . . 1.2 109.922 177.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.7 -36.16 82.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.82 110.552 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.98 -34.42 59.78 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.054 -0.35 . . . . 0.23 110.054 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . 0.455 ' NH2' ' HG3' ' A' ' 667' ' ' MET . 50.9 ttp180 -63.68 -45.32 90.64 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.96 -0.564 . . . . 3.33 109.77 175.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.51 -44.78 95.52 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.478 -0.783 . . . . 1.89 109.008 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.2 91.02 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.333 -0.848 . . . . 0.23 111.46 177.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.91 -40.03 94.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.982 0.42 . . . . 1.76 110.64 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 87.8 mtp -72.5 -28.45 62.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.139 -0.482 . . . . 0.79 110.643 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 29.6 mt -84.73 -17.14 39.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.628 -0.26 . . . . 0.53 111.594 178.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 34.8 t80 . . . . . 0 C--N 1.322 -0.592 0 C-N-CA 120.696 -0.402 . . . . 0.82 110.521 178.605 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 16.6 t70 . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 110.302 -0.258 . . . . 1.68 110.302 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.95 -32.88 59.58 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.245 2.63 . . . . 0.42 113.547 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -68.66 -51.14 45.21 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.746 -0.465 . . . . 2.21 109.746 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -63.51 -37.68 88.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.719 -0.673 . . . . 3.24 109.234 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 18.3 m -56.77 -50.25 72.86 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.904 -1.044 . . . . 1.11 110.883 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.66 -33.88 77.13 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.278 -0.963 . . . . 0.19 112.122 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 3.7 m-20 -60.96 -46.8 89.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 1.54 110.013 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 41.5 mt -69.43 -37.0 77.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.272 -0.422 . . . . 1.35 111.28 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -65.0 -38.48 91.11 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.954 -0.298 . . . . 1.33 111.221 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 12.7 p -72.43 -38.95 68.21 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.717 -0.393 . . . . 0.31 110.479 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 79.2 mt-30 -63.34 -43.37 97.91 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.296 0.57 . . . . 2.13 109.515 175.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.18 95.0 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.387 -0.824 . . . . 0.18 110.823 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.47 93.53 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.873 0.368 . . . . 0.2 110.7 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -60.53 -45.57 93.37 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.873 -0.603 . . . . 1.84 109.781 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.15 69.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.21 111.042 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -69.53 -48.25 61.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.999 -0.546 . . . . 0.16 110.785 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . 0.457 ' HB3' ' CB ' ' A' ' 709' ' ' ALA . 25.9 ptt? -72.08 -25.14 61.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.342 -0.39 . . . . 0.76 110.686 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.59 -29.31 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.171 0.51 . . . . 2.58 109.878 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -90.45 20.24 4.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.918 -0.583 . . . . 0.45 111.055 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 47.5 tpp 69.47 -2.84 1.77 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.521 0.677 . . . . 2.61 111.321 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -87.1 53.24 2.76 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.457 -0.571 . . . . 1.59 109.457 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -60.7 -24.7 62.54 Favored Glycine 0 C--O 1.226 -0.349 0 CA-C-N 115.483 -0.781 . . . . 0.47 113.567 -176.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -62.63 -45.45 92.79 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.721 -0.474 . . . . 3.9 109.721 175.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 19.8 mt -60.36 -44.12 95.87 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.753 -0.658 . . . . 1.02 109.839 173.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 701' ' ' MET . . . -55.45 -54.09 48.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.341 -0.845 . . . . 0.21 111.175 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -57.3 -43.81 83.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 1.6 110.536 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -57.73 -52.76 64.13 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.681 0.277 . . . . 1.83 111.197 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -61.16 -30.54 70.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.793 0.294 . . . . 0.44 111.793 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.51 -41.27 76.27 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.28 0.562 . . . . 2.95 109.864 173.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.28 -31.05 71.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.445 -0.798 . . . . 1.98 109.378 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -82.32 -37.27 26.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.229 -0.896 . . . . 1.67 108.83 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -61.63 -45.44 94.05 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.154 -0.475 . . . . 0.25 110.195 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -63.26 -42.04 99.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.759 -0.655 . . . . 2.16 109.61 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.4 -43.79 92.91 Favored 'General case' 0 C--N 1.335 -0.053 0 CA-C-N 116.199 -0.455 . . . . 2.2 110.743 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.08 -51.27 66.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.37 110.925 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 24.2 m0 . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 0.47 112.044 179.85 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 30.9 p90 . . . . . 0 C--O 1.223 -0.306 0 CA-C-O 120.565 0.222 . . . . 0.81 111.179 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 58.0 mtt -71.57 -37.33 71.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.105 0.479 . . . . 1.17 110.045 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 53.3 ttp -69.47 -44.36 71.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.002 -0.545 . . . . 1.2 109.561 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.7 -33.05 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.724 -0.671 . . . . 0.82 110.926 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.39 -32.38 54.79 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 110.061 -0.348 . . . . 0.23 110.061 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -63.44 -42.66 98.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.196 0.522 . . . . 3.33 109.628 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -64.2 -46.9 81.86 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.874 -0.788 . . . . 1.89 108.874 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' A' ' 692' ' ' LEU . . . -56.65 -40.74 75.99 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.385 -0.825 . . . . 0.23 111.136 176.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -62.46 -44.02 97.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 1.76 110.073 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.1 mtm -67.95 -27.31 66.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.524 . . . . 0.79 111.071 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.05 -26.61 26.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.62 0.248 . . . . 0.53 111.109 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 50.2 t80 . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.555 -0.293 . . . . 0.82 111.233 -177.281 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 18.6 t70 . . . . . 0 N--CA 1.456 -0.148 0 N-CA-C 109.485 -0.561 . . . . 1.68 109.485 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -52.42 -30.84 45.37 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.211 2.608 . . . . 0.42 113.763 -176.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . 0.453 ' HA ' ' HE1' ' A' ' 720' ' ' TRP . 0.9 OUTLIER -72.26 -50.15 29.48 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.835 -0.431 . . . . 2.21 109.835 -177.447 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -68.58 -31.84 71.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.448 -0.575 . . . . 3.24 109.448 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 20.1 m -54.85 -51.12 66.91 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.443 -0.799 . . . . 1.11 110.124 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.5 -32.88 75.72 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.261 -0.971 . . . . 0.19 112.077 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -59.17 -51.27 70.72 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.089 0.471 . . . . 1.54 109.742 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . 0.517 ' HB3' ' HB2' ' A' ' 672' ' ' ALA . 3.2 mm? -69.5 -34.49 74.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 1.35 111.364 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . 0.422 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 10.1 m-85 -68.5 -39.1 81.4 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.809 -0.356 . . . . 1.33 111.333 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 13.2 p -71.65 -37.22 70.85 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.621 -0.432 . . . . 0.31 110.085 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -67.3 -37.71 83.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 2.13 110.12 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -63.46 -38.91 92.97 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.306 -0.406 . . . . 0.18 110.605 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.9 -36.0 79.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.925 0.393 . . . . 0.2 110.037 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.8 -45.77 92.4 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.786 -0.643 . . . . 1.84 109.9 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.8 -28.85 67.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.181 0.515 . . . . 0.21 110.684 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.63 -48.88 52.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.831 -0.622 . . . . 0.16 110.283 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -70.19 -25.25 63.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.76 110.23 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.96 -42.94 89.27 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.305 0.574 . . . . 2.58 109.87 171.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -82.43 17.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.46 -0.791 . . . . 0.45 111.13 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 98.1 mmm 57.61 44.62 20.54 Favored 'General case' 0 CA--C 1.523 -0.084 0 CA-C-N 115.746 -0.661 . . . . 2.61 110.505 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -122.23 78.02 1.45 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.491 -0.777 . . . . 1.59 109.633 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -64.12 -40.16 97.83 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.397 -0.82 . . . . 0.47 113.495 -175.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -66.51 -43.43 85.27 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 117.262 0.531 . . . . 3.9 110.492 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.11 -45.46 94.59 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.004 -0.544 . . . . 1.02 109.857 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -56.74 -46.96 81.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.284 -0.871 . . . . 0.21 110.789 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -58.45 -50.1 74.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 1.6 110.872 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 714' ' ' GLN . 8.5 tt0 -59.43 -54.55 45.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.78 0.324 . . . . 1.83 111.697 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -62.13 -32.12 72.67 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.652 -0.419 . . . . 0.44 111.557 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -71.26 -36.37 71.72 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.277 -0.638 . . . . 2.95 109.277 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . 0.46 ' HB3' ' O ' ' A' ' 711' ' ' GLN . 3.2 tt0 -60.49 -35.18 75.32 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.535 -0.757 . . . . 1.98 110.377 173.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -81.98 -30.24 31.72 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.882 -0.784 . . . . 1.67 108.882 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.54 -51.45 59.8 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.033 -0.53 . . . . 0.25 110.229 173.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -58.33 -46.04 86.94 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.564 -0.743 . . . . 2.16 110.113 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.64 -41.16 97.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 2.2 110.758 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.16 -53.5 57.39 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.438 -0.346 . . . . 0.37 110.916 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . 0.453 ' HE1' ' HA ' ' A' ' 687' ' ' GLN . 22.4 m0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.449 -0.341 . . . . 0.47 111.425 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . 0.472 ' CE2' ' HG3' ' A' ' 666' ' ' MET . 32.2 p90 . . . . . 0 C--O 1.227 -0.096 0 CA-C-O 120.601 0.239 . . . . 0.81 110.868 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.472 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 67.4 mtt -70.7 -37.05 73.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.96 0.409 . . . . 1.17 109.959 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 58.7 ttp -69.6 -46.79 65.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.693 -0.685 . . . . 1.2 109.758 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.14 -35.42 81.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.537 -0.756 . . . . 0.82 110.965 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.63 -32.27 57.92 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.842 0.353 . . . . 0.23 110.322 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -64.71 -42.24 95.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.747 -0.464 . . . . 3.33 109.747 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -65.63 -44.88 85.08 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.872 -0.604 . . . . 1.89 109.416 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 692' ' ' LEU . . . -53.8 -43.52 69.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.99 -0.55 . . . . 0.23 111.616 175.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.07 -37.7 86.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.957 0.408 . . . . 1.76 110.13 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.4 mtm -73.18 -22.88 60.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.79 110.813 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.33 -13.71 45.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.107 0.479 . . . . 0.53 110.082 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 38.3 t80 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 115.829 -0.623 . . . . 0.82 111.474 -176.569 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 31.9 t70 . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.649 -0.5 . . . . 1.68 109.649 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.71 -28.81 31.19 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.138 2.559 . . . . 0.42 113.325 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -67.51 -51.26 53.14 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 110.092 -0.336 . . . . 2.21 110.092 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -69.43 -32.61 71.68 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.728 -0.471 . . . . 3.24 109.728 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 17.3 t -54.69 -49.97 69.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.001 -0.545 . . . . 1.11 110.133 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -71.45 -29.48 68.03 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.359 -0.924 . . . . 0.19 111.713 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.99 -39.29 93.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.288 0.566 . . . . 1.54 109.805 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 672' ' ' ALA . 3.8 mm? -76.61 -35.59 58.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.005 -0.543 . . . . 1.35 111.065 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -66.32 -36.32 82.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.714 0.292 . . . . 1.33 111.072 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 17.4 p -71.99 -37.23 69.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.844 0.354 . . . . 0.31 110.241 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.51 -42.89 86.64 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.179 -0.464 . . . . 2.13 110.023 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.56 87.32 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.829 -0.623 . . . . 0.18 110.727 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.63 -36.38 82.45 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 120.776 0.322 . . . . 0.2 110.826 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.7 -40.84 98.39 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.258 -0.428 . . . . 1.84 110.129 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -71.78 -28.71 63.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.925 -0.58 . . . . 0.21 110.559 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -71.65 -48.39 48.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.757 -0.656 . . . . 0.16 110.418 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -66.86 -27.6 67.66 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.027 -0.269 . . . . 0.76 110.576 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.85 -40.22 94.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.289 0.566 . . . . 2.58 109.754 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -91.45 23.73 3.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.426 -0.806 . . . . 0.45 111.576 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 83.5 mtp 58.41 39.72 24.95 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.254 0.55 . . . . 2.61 111.478 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -112.51 65.14 0.63 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.988 -0.551 . . . . 1.59 109.642 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -54.0 -58.27 13.33 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 115.685 -0.689 . . . . 0.47 114.512 -173.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 58.7 ttp180 -58.46 -35.83 72.77 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 117.202 0.501 . . . . 3.9 110.997 -178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.23 -46.55 76.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 1.02 109.958 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.23 -48.06 79.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.557 -0.747 . . . . 0.21 110.494 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.98 -46.17 88.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 1.6 110.805 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -57.52 -50.69 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.337 . . . . 1.83 110.952 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -62.97 -32.06 73.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.434 -0.348 . . . . 0.44 111.787 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -69.45 -40.96 76.86 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.093 0.473 . . . . 2.95 109.971 171.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.31 -33.19 72.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.442 -0.799 . . . . 1.98 110.36 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -85.28 -27.73 25.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.519 -0.764 . . . . 1.67 109.123 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.08 87.65 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.967 -0.56 . . . . 0.25 110.099 172.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -58.26 -48.88 79.05 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.925 -0.579 . . . . 2.16 110.312 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -59.72 -44.15 93.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.701 -0.681 . . . . 2.2 110.365 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.72 -45.74 81.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.496 -0.32 . . . . 0.37 111.517 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 30.4 m0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.855 0.36 . . . . 0.47 111.313 179.476 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . 0.61 ' OH ' ' HE3' ' A' ' 705' ' ' LYS . 28.7 p90 . . . . . 0 C--O 1.225 -0.23 0 N-CA-C 112.198 0.444 . . . . 0.81 112.198 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 67.9 mtt -72.25 -42.84 65.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.77 0.319 . . . . 1.17 110.414 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -70.23 -43.6 70.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.857 -0.794 . . . . 1.2 108.857 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.9 mp -60.23 -41.73 93.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.529 -0.76 . . . . 0.82 110.895 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.77 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.747 0.308 . . . . 0.23 110.525 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -65.42 -41.98 92.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.26 -0.427 . . . . 3.33 109.929 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.24 -41.59 76.79 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.553 -0.536 . . . . 1.89 109.553 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.46 70.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.931 0.396 . . . . 0.23 110.92 174.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -68.53 -37.14 79.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 1.76 110.149 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.7 mtm -73.09 -17.03 61.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.79 110.405 176.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -86.73 -29.57 22.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.16 -0.473 . . . . 0.53 110.107 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 16.1 t80 . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.5 -0.318 . . . . 0.82 111.422 -177.737 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 C--O 1.234 0.241 0 N-CA-C 109.259 -0.645 . . . . 1.68 109.259 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -52.16 -31.18 44.36 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.145 2.563 . . . . 0.42 113.435 -175.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -67.12 -55.18 15.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.705 0.288 . . . . 2.21 110.593 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . 0.476 ' O ' ' HD3' ' A' ' 688' ' ' ARG . 0.9 OUTLIER -68.55 -30.4 69.18 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.264 -0.643 . . . . 3.24 109.264 -178.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 29.0 m -54.79 -51.5 65.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.841 -0.618 . . . . 1.11 110.405 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.24 -35.45 82.89 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.352 -0.928 . . . . 0.19 112.023 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.576 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 2.0 m-20 -61.86 -47.93 82.78 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.946 -0.302 . . . . 1.54 110.322 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . 0.435 HD22 ' CZ ' ' A' ' 688' ' ' ARG . 23.7 tp -74.52 -32.0 62.34 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.633 -0.427 . . . . 1.35 110.861 -178.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -66.37 -35.84 81.35 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 120.888 -0.325 . . . . 1.33 110.8 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 9.8 p -75.53 -33.21 60.69 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.648 -0.421 . . . . 0.31 110.418 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 55.2 mt-30 -65.43 -41.02 93.98 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.126 -0.694 . . . . 2.13 109.126 172.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.75 94.0 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.573 -0.739 . . . . 0.18 110.807 175.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.22 85.77 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.623 0.249 . . . . 0.2 110.466 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -60.21 -49.99 75.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 1.84 109.837 175.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -64.92 -30.27 71.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.21 110.838 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.15 -53.16 18.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.54 . . . . 0.16 110.761 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -69.08 -25.59 64.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.848 0.356 . . . . 0.76 110.349 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.15 -32.91 69.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.394 0.616 . . . . 2.58 109.844 174.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.91 18.21 5.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.508 -0.769 . . . . 0.45 111.086 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 7.1 tpt 67.11 23.32 9.65 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.894 -0.594 . . . . 2.61 111.018 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . 0.61 ' HE3' ' OH ' ' A' ' 665' ' ' TYR . 75.0 mmtt -102.07 76.25 1.58 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.05 -0.523 . . . . 1.59 110.474 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -57.42 -50.42 65.02 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.256 -0.497 . . . . 0.47 113.353 -178.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . 0.431 ' HG3' ' OE1' ' A' ' 711' ' ' GLN . 2.7 tpp180 -53.29 -50.25 65.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.086 0.47 . . . . 3.9 110.968 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.32 -45.93 91.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.508 -0.769 . . . . 1.02 110.579 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.56 89.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.21 110.986 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -61.49 -50.25 73.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 1.6 110.572 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . 0.431 ' OE1' ' HG3' ' A' ' 707' ' ' ARG . 25.5 mt-30 -56.7 -56.19 24.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 1.83 111.504 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -61.38 -33.08 73.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.289 -0.414 . . . . 0.44 111.851 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -71.4 -41.03 70.12 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.395 -0.522 . . . . 2.95 109.627 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.57 -25.41 67.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.631 0.729 . . . . 1.98 109.97 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -86.02 -32.05 21.67 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.423 -0.808 . . . . 1.67 108.983 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.23 -46.18 84.96 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.844 -0.616 . . . . 0.25 110.051 173.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -62.44 -43.17 99.47 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.668 -0.697 . . . . 2.16 110.259 177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.95 -44.86 87.23 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.085 -0.507 . . . . 2.2 110.683 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.31 -52.32 63.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.37 111.33 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 34.5 m0 . . . . . 0 C--N 1.327 -0.397 0 N-CA-C 111.996 0.369 . . . . 0.47 111.996 -178.534 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . 0.63 ' OH ' ' HE2' ' A' ' 705' ' ' LYS . 44.7 p90 . . . . . 0 C--O 1.225 -0.194 0 N-CA-C 111.795 0.294 . . . . 0.81 111.795 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.492 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 63.8 mtt -69.74 -32.92 71.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.62 0.247 . . . . 1.17 110.606 -177.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 58.9 ttp -70.8 -44.47 66.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.401 -0.592 . . . . 1.2 109.401 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.54 -36.3 83.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.474 -0.784 . . . . 0.82 110.733 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.59 -32.93 53.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.403 -0.362 . . . . 0.23 110.333 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . 0.533 ' O ' ' HG3' ' A' ' 674' ' ' MET . 34.4 ttm180 -65.2 -40.47 94.22 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.55 -0.537 . . . . 3.33 109.55 176.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -63.51 -48.2 78.56 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.979 -0.748 . . . . 1.89 108.979 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.9 -40.73 76.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.245 -0.888 . . . . 0.23 111.674 177.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -69.32 -33.49 73.23 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.266 -0.272 . . . . 1.76 110.266 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . 0.533 ' HG3' ' O ' ' A' ' 670' ' ' ARG . 84.4 mtp -68.73 -30.76 69.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.431 -0.35 . . . . 0.79 110.257 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.58 -35.63 52.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.53 110.993 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 36.8 t80 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.128 -0.487 . . . . 0.82 111.258 -175.844 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 30.0 t70 . . . . . 0 C--O 1.233 0.202 0 N-CA-C 110.174 -0.306 . . . . 1.68 110.174 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.82 -30.07 66.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.954 2.436 . . . . 0.42 113.13 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -67.57 -54.32 20.87 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.917 -0.401 . . . . 2.21 109.917 -176.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -70.13 -31.47 69.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.991 -0.374 . . . . 3.24 109.991 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 45.2 m -55.98 -47.32 77.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.11 110.234 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.1 -32.47 72.9 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.252 -0.975 . . . . 0.19 111.852 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 33.1 t70 -63.38 -44.79 93.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.238 0.542 . . . . 1.54 110.2 178.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 50.2 mt -72.03 -35.8 69.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.988 -0.551 . . . . 1.35 110.986 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -70.14 -33.68 72.1 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.023 -0.271 . . . . 1.33 111.298 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 5.3 p -70.89 -37.15 73.0 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.572 -0.451 . . . . 0.31 110.115 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 23.4 mt-30 -66.17 -41.31 90.49 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.217 -0.447 . . . . 2.13 109.816 174.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.3 97.29 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.18 111.138 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.85 -35.9 81.1 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.2 110.222 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.52 -48.81 80.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.812 -0.631 . . . . 1.84 109.957 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -66.62 -28.32 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 0.21 110.913 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -74.3 -51.2 15.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 0.16 110.678 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -63.62 -35.02 79.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.76 110.199 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -70.72 -28.75 64.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.906 -0.588 . . . . 2.58 109.947 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -92.06 21.04 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.799 -0.637 . . . . 0.45 111.407 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 44.8 ttm 71.59 4.45 5.05 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.191 0.519 . . . . 2.61 111.622 174.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . 0.63 ' HE2' ' OH ' ' A' ' 665' ' ' TYR . 30.5 mmmt -88.14 62.39 6.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.172 -0.467 . . . . 1.59 110.323 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -53.51 -47.54 62.96 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-N 115.942 -0.572 . . . . 0.47 114.216 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -64.29 -42.54 96.36 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 117.339 0.569 . . . . 3.9 110.826 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.48 -41.49 96.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.358 -0.383 . . . . 1.02 110.137 177.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.09 -47.1 81.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.794 -0.639 . . . . 0.21 110.612 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -58.64 -48.77 79.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.847 -0.615 . . . . 1.6 110.626 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -58.38 -54.31 48.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.437 -0.347 . . . . 1.83 111.508 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -59.96 -33.12 71.5 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.099 -0.241 . . . . 0.44 111.129 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -71.03 -39.38 72.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.808 -0.441 . . . . 2.95 109.808 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -64.35 -26.25 68.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.855 -0.611 . . . . 1.98 110.116 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -85.43 -32.33 22.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.532 -0.758 . . . . 1.67 108.986 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.37 -49.3 69.85 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.789 -0.641 . . . . 0.25 109.999 174.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -60.87 -43.45 98.38 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.539 -0.755 . . . . 2.16 110.328 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.83 -42.71 89.87 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.404 -0.362 . . . . 2.2 110.63 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -58.65 -52.18 66.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.37 111.23 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 33.9 m0 . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 111.722 0.267 . . . . 0.47 111.722 -177.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . 0.421 ' CZ ' ' HG3' ' A' ' 705' ' ' LYS . 8.5 p90 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.642 0.258 . . . . 0.81 111.268 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 60.5 mtt -73.58 -33.54 64.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.88 0.371 . . . . 1.17 110.17 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -72.16 -44.48 63.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.927 -0.768 . . . . 1.2 108.927 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.27 -35.58 79.41 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.715 -0.675 . . . . 0.82 110.619 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.69 -32.3 57.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.359 . . . . 0.23 110.401 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 674' ' ' MET . 60.9 ttt180 -63.9 -43.69 95.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.927 -0.579 . . . . 3.33 109.467 174.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -63.03 -48.03 80.5 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.889 -0.782 . . . . 1.89 108.889 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -57.03 -42.62 80.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.363 -0.835 . . . . 0.23 111.465 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -68.36 -35.25 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.635 0.255 . . . . 1.76 110.37 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 670' ' ' ARG . 64.8 mtm -72.57 -27.0 61.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.663 0.268 . . . . 0.79 110.647 177.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -82.21 -28.72 31.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.415 -0.357 . . . . 0.53 111.208 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . 0.621 ' CZ ' ' HA ' ' A' ' 719' ' ' ALA . 11.9 t80 . . . . . 0 C--N 1.325 -0.466 0 C-N-CA 120.874 -0.331 . . . . 0.82 111.8 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 CA--C 1.528 0.105 0 N-CA-C 109.512 -0.551 . . . . 1.68 109.512 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.83 -31.64 34.14 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.297 2.665 . . . . 0.42 113.74 -176.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -68.02 -52.63 33.4 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 120.966 0.412 . . . . 2.21 110.024 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -66.27 -36.64 83.5 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.162 -0.681 . . . . 3.24 109.162 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . 0.403 ' HB3' ' HB2' ' A' ' 676' ' ' PHE . 20.0 m -54.41 -54.56 39.07 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.261 -0.881 . . . . 1.11 110.582 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.43 -31.14 76.09 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.288 -0.958 . . . . 0.19 111.881 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.18 -44.0 96.65 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.601 -0.518 . . . . 1.54 109.601 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.55 -36.32 73.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.037 -0.529 . . . . 1.35 110.82 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . 0.422 ' HB3' ' HB2' ' A' ' 716' ' ' ALA . 24.6 m-85 -63.41 -42.63 98.76 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.802 0.334 . . . . 1.33 110.7 176.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 15.7 p -71.18 -37.33 72.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.468 -0.333 . . . . 0.31 110.44 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . 0.694 HE21 ' HA ' ' A' ' 695' ' ' GLN . 0.0 OUTLIER -65.89 -40.6 91.7 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.56 -0.533 . . . . 2.13 109.56 175.064 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.19 94.21 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.963 -0.562 . . . . 0.18 110.922 175.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.83 -37.23 85.67 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.2 110.34 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.66 -46.69 88.67 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.103 -0.499 . . . . 1.84 110.092 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -68.12 -28.9 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.968 0.413 . . . . 0.21 110.738 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.24 -51.7 28.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.824 -0.626 . . . . 0.16 110.241 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -69.24 -25.65 64.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.951 0.405 . . . . 0.76 110.197 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -71.11 -33.81 70.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.129 0.49 . . . . 2.58 109.843 175.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -94.4 26.18 3.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.929 -0.578 . . . . 0.45 110.958 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 24.5 mmt 54.12 47.9 22.19 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.699 -0.682 . . . . 2.61 110.821 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 665' ' ' TYR . 25.8 mmtm -127.18 64.03 1.32 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.345 -0.843 . . . . 1.59 109.877 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -56.42 -39.8 84.49 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.565 -0.743 . . . . 0.47 113.513 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -55.25 -50.23 70.0 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.297 0.57 . . . . 3.9 110.201 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . 0.405 HD23 ' HB3' ' A' ' 705' ' ' LYS . 4.0 mm? -61.61 -45.33 94.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.388 -0.824 . . . . 1.02 110.266 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.84 83.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.781 -0.645 . . . . 0.21 111.126 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -62.81 -49.79 73.55 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.854 -0.425 . . . . 1.6 109.854 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -58.23 -55.45 34.77 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.021 -0.536 . . . . 1.83 111.532 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -60.2 -33.73 72.65 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.664 0.246 . . . . 0.44 111.664 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -70.25 -40.07 74.65 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.512 -0.475 . . . . 2.95 109.807 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -67.9 -25.92 65.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.453 0.644 . . . . 1.98 109.952 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -83.19 -29.01 28.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.059 -1.089 . . . . 1.67 108.059 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 693' ' ' TYR . . . -63.88 -47.43 80.7 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.384 -0.825 . . . . 0.25 110.103 170.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.61 -38.98 92.88 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.767 -0.651 . . . . 2.16 110.298 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -59.13 -44.34 92.04 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 110.088 -0.338 . . . . 2.2 110.088 172.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . 0.621 ' HA ' ' CZ ' ' A' ' 676' ' ' PHE . . . -57.02 -47.97 79.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.355 -0.384 . . . . 0.37 111.511 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 34.0 m0 . . . . . 0 C--N 1.327 -0.408 0 C-N-CA 120.769 -0.372 . . . . 0.47 111.914 -179.501 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 21.3 p90 . . . . . 0 C--O 1.222 -0.363 0 N-CA-C 111.987 0.366 . . . . 0.81 111.987 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 10.5 mmt -71.83 -38.53 70.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.864 0.364 . . . . 1.17 110.725 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 51.1 ttp -70.52 -42.72 70.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.421 0.629 . . . . 1.2 109.693 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 9.1 mp -66.57 -33.56 75.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.523 -0.762 . . . . 0.82 110.563 177.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.04 -32.59 59.41 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.238 -0.282 . . . . 0.23 110.238 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -62.04 -46.51 88.84 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.659 -0.497 . . . . 3.33 109.659 174.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -63.78 -44.66 92.72 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.304 -0.628 . . . . 1.89 109.304 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.481 ' HB2' ' HB3' ' A' ' 692' ' ' LEU . . . -53.73 -43.56 69.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.828 -0.623 . . . . 0.23 111.652 175.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.36 -38.06 77.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.85 0.357 . . . . 1.76 110.478 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.4 mtm -69.06 -27.07 65.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.79 110.35 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.85 -17.59 32.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.873 0.368 . . . . 0.53 110.346 175.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . 0.49 ' CE1' ' HE2' ' A' ' 715' ' ' LYS . 47.3 t80 . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.458 -0.337 . . . . 0.82 111.573 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 C--O 1.234 0.272 0 N-CA-C 109.177 -0.675 . . . . 1.68 109.177 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -52.62 -30.6 46.1 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.205 2.604 . . . . 0.42 113.593 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . 0.403 ' HA ' ' HE1' ' A' ' 720' ' ' TRP . 20.5 tm0? -72.33 -52.52 15.79 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.788 -0.365 . . . . 2.21 110.04 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -62.02 -35.57 78.95 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.657 -0.497 . . . . 3.24 109.657 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . 0.475 ' HG ' ' HD2' ' A' ' 676' ' ' PHE . 33.2 t -52.36 -56.72 13.01 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.42 -0.809 . . . . 1.11 110.41 175.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.55 -31.97 74.37 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.151 -1.023 . . . . 0.19 112.026 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.66 -51.94 67.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.01 0.433 . . . . 1.54 110.0 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 672' ' ' ALA . 4.5 mm? -67.68 -36.44 80.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.379 -0.373 . . . . 1.35 110.874 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . 0.479 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 8.3 m-85 -66.48 -38.23 86.83 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 120.926 -0.31 . . . . 1.33 111.191 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 14.0 p -71.93 -40.88 68.43 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.753 -0.379 . . . . 0.31 110.974 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.91 -40.78 95.6 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.289 -0.564 . . . . 2.13 110.03 174.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.62 90.13 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.18 110.665 175.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.12 -35.82 80.58 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.801 0.334 . . . . 0.2 110.702 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -59.25 -49.08 79.21 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.985 -0.552 . . . . 1.84 109.64 175.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -66.27 -29.69 69.96 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.897 -0.592 . . . . 0.21 111.088 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -71.89 -50.87 25.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.014 -0.539 . . . . 0.16 110.503 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 45.3 ttp -64.82 -30.6 71.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.76 110.143 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -63.53 -41.71 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.814 -0.63 . . . . 2.58 110.341 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -81.48 14.41 2.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.45 111.463 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 83.0 mtp 66.32 21.99 10.9 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.215 0.531 . . . . 2.61 111.209 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -101.52 57.73 0.85 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.208 -0.664 . . . . 1.59 109.208 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -54.93 -38.02 64.04 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.319 -0.855 . . . . 0.47 113.63 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -58.86 -49.76 76.53 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 117.07 0.435 . . . . 3.9 110.375 177.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.71 -46.21 91.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.574 -0.528 . . . . 1.02 109.574 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -54.45 -55.34 29.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.988 -1.006 . . . . 0.21 111.331 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -64.2 -35.9 82.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.396 -0.366 . . . . 1.6 110.87 -176.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.34 -52.2 66.64 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.682 -0.407 . . . . 1.83 110.524 173.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -64.56 -25.69 68.09 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.989 0.366 . . . . 0.44 111.989 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -70.04 -43.77 70.58 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.572 -0.529 . . . . 2.95 109.572 170.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -58.44 -31.33 67.66 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.705 -0.679 . . . . 1.98 110.077 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . 0.49 ' HE2' ' CE1' ' A' ' 676' ' ' PHE . 6.2 tmtp? -82.86 -36.02 25.78 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.087 -0.961 . . . . 1.67 108.983 -175.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.37 89.16 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.821 -0.627 . . . . 0.25 110.466 175.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.98 -43.07 79.79 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.058 -0.519 . . . . 2.16 109.892 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -63.36 -38.44 91.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.338 -0.392 . . . . 2.2 110.429 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.46 58.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.691 0.282 . . . . 0.37 111.087 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . 0.403 ' HE1' ' HA ' ' A' ' 687' ' ' GLN . 30.2 m0 . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 112.205 0.446 . . . . 0.47 112.205 -178.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . 0.641 ' CE2' ' HG3' ' A' ' 666' ' ' MET . 40.2 p90 . . . . . 0 C--O 1.225 -0.233 0 N-CA-C 111.73 0.27 . . . . 0.81 111.73 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.641 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 51.7 mtt -70.98 -28.69 64.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.649 0.262 . . . . 1.17 110.626 -179.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 59.6 ttp -69.9 -49.05 55.91 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.473 -0.566 . . . . 1.2 109.473 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.15 -33.6 75.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.299 -0.864 . . . . 0.82 110.636 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -78.01 -31.89 50.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.23 110.474 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -62.9 -43.67 98.18 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.223 0.535 . . . . 3.33 109.69 175.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -65.65 -44.43 86.35 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.761 -0.654 . . . . 1.89 109.642 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.43 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -57.77 -39.96 78.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.23 111.166 175.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.55 -42.69 98.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.859 -0.609 . . . . 1.76 110.334 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.8 mtm -67.59 -25.04 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.79 110.483 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.72 -18.91 33.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.483 -0.326 . . . . 0.53 110.635 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 C--N 1.325 -0.462 0 C-N-CA 121.179 -0.209 . . . . 0.82 111.229 -179.005 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.101 -0.333 . . . . 1.68 110.101 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.94 -31.96 65.7 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.971 2.447 . . . . 0.42 113.498 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -69.51 -54.6 13.42 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 120.747 0.308 . . . . 2.21 110.549 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -68.43 -32.47 72.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 3.24 109.854 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 23.3 t -55.18 -46.39 75.81 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.71 -0.677 . . . . 1.11 110.023 176.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.83 -31.48 67.26 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.416 -0.897 . . . . 0.19 112.1 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 695' ' ' GLN . 20.7 t70 -62.1 -45.95 91.22 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.392 -0.596 . . . . 1.54 109.392 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.92 -35.4 72.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.788 -0.642 . . . . 1.35 111.11 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . 0.43 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 8.9 m-85 -69.55 -34.04 73.65 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.948 -0.301 . . . . 1.33 111.364 177.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 11.5 p -73.59 -32.12 63.95 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.359 -0.536 . . . . 0.31 110.011 176.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 691' ' ' ASP . 85.4 mm-40 -64.64 -44.07 91.64 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.44 -0.578 . . . . 2.13 109.44 171.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.99 91.84 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.64 -0.709 . . . . 0.18 111.211 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.18 83.33 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.939 0.399 . . . . 0.2 110.491 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.22 -44.97 96.42 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.753 -0.658 . . . . 1.84 109.373 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -69.16 -29.75 67.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.993 -0.549 . . . . 0.21 110.914 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.18 -45.84 65.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.015 -0.539 . . . . 0.16 110.796 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -70.94 -26.37 63.16 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.759 -0.376 . . . . 0.76 110.382 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -73.49 -24.65 60.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.041 0.448 . . . . 2.58 110.893 174.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -94.28 11.5 30.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.087 -0.506 . . . . 0.45 110.252 174.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 53.57 42.11 31.97 Favored 'General case' 0 N--CA 1.46 0.073 0 CA-C-N 115.009 -0.996 . . . . 2.61 111.513 179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? -108.45 80.97 1.4 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.527 -0.76 . . . . 1.59 109.019 174.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -54.68 -58.72 12.13 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.628 -0.715 . . . . 0.47 113.7 -175.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 42.0 ttt180 -52.98 -42.23 65.35 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.841 0.353 . . . . 3.9 111.382 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.64 -47.54 78.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.126 -0.488 . . . . 1.02 110.23 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.14 -44.07 83.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.962 -0.563 . . . . 0.21 110.585 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -61.75 -50.8 70.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.017 -0.538 . . . . 1.6 110.692 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -58.74 -52.64 64.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.547 -0.297 . . . . 1.83 111.521 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -59.43 -36.33 75.71 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.134 -0.227 . . . . 0.44 111.446 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -68.45 -39.28 81.51 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.999 0.428 . . . . 2.95 109.896 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -67.19 -26.36 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.973 -0.558 . . . . 1.98 110.554 176.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.57 -31.5 28.99 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.471 -0.937 . . . . 1.67 108.471 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.67 -49.16 74.28 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.458 -0.792 . . . . 0.25 110.001 173.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -64.59 -39.65 94.11 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.992 -0.549 . . . . 2.16 109.99 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.56 -45.62 88.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.755 0.312 . . . . 2.2 110.473 176.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.95 -48.39 78.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.002 -0.545 . . . . 0.37 110.886 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 42.2 m0 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.321 -0.399 . . . . 0.47 111.888 -178.61 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . 0.458 ' HB3' ' HB3' ' A' ' 699' ' ' ALA . 6.1 p90 . . . . . 0 N--CA 1.461 0.077 0 CA-C-O 120.519 0.2 . . . . 0.81 111.509 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 61.8 mtt -70.04 -42.17 73.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.954 0.406 . . . . 1.17 109.992 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 57.9 ttp -68.63 -43.82 75.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 1.2 110.118 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.47 -35.8 81.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.548 -0.751 . . . . 0.82 110.832 179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.3 -33.87 59.06 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.956 -0.387 . . . . 0.23 109.956 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -62.2 -45.52 93.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.751 -0.659 . . . . 3.33 109.617 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . 0.413 ' O ' HD23 ' A' ' 675' ' ' LEU . 29.7 tt0 -66.03 -43.84 86.41 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.952 -0.567 . . . . 1.89 109.582 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.402 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -56.33 -41.55 76.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.23 111.115 175.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -64.78 -40.32 95.06 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.827 -0.624 . . . . 1.76 110.354 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.5 mtm -70.17 -25.85 63.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.79 110.72 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.413 HD23 ' O ' ' A' ' 671' ' ' GLU . 3.9 mm? -84.38 -18.58 35.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.942 0.401 . . . . 0.53 110.395 177.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 37.0 t80 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.173 -0.467 . . . . 0.82 111.13 178.592 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 109.922 -0.399 . . . . 1.68 109.922 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.28 -38.96 73.25 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.221 2.614 . . . . 0.42 113.501 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -72.86 -43.29 62.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.847 0.356 . . . . 2.21 110.178 -176.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 688' ' ' ARG . 0.0 OUTLIER -70.03 -40.91 74.89 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.966 -0.753 . . . . 3.24 108.966 -178.402 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 23.1 t -56.25 -54.08 49.56 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.371 -0.831 . . . . 1.11 110.657 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.68 -32.8 79.06 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.243 -0.98 . . . . 0.19 112.237 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 32.8 t70 -64.0 -43.43 95.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.05 0.452 . . . . 1.54 109.839 177.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 33.9 mt -68.88 -37.58 79.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.34 -0.391 . . . . 1.35 110.906 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . 0.402 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 9.0 m-85 -66.46 -36.97 84.09 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.931 -0.308 . . . . 1.33 110.94 177.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 12.3 p -73.0 -37.38 67.01 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.752 -0.379 . . . . 0.31 110.601 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 26.5 mt-30 -65.16 -39.92 93.62 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.253 0.549 . . . . 2.13 109.673 173.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.59 92.65 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.761 -0.654 . . . . 0.18 110.556 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.78 84.45 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.2 110.534 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 701' ' ' MET . 28.1 tt0 -57.24 -51.95 67.27 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.32 0.581 . . . . 1.84 109.548 173.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 665' ' ' TYR . . . -61.6 -31.77 71.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.789 -0.641 . . . . 0.21 111.179 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -71.07 -48.82 50.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.081 -0.509 . . . . 0.16 110.554 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 698' ' ' GLU . 22.2 ptp -65.25 -31.33 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.76 110.611 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -76.78 -16.4 59.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.002 0.429 . . . . 2.58 111.254 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -103.09 13.99 32.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.233 -0.439 . . . . 0.45 111.256 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 22.6 mmt 64.58 34.82 9.65 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.344 0.592 . . . . 2.61 111.489 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -113.98 72.17 0.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.774 -0.648 . . . . 1.59 110.09 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -53.73 -48.34 61.82 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.59 -0.732 . . . . 0.47 113.472 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -60.85 -39.93 90.93 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 117.557 0.678 . . . . 3.9 110.999 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.29 -46.36 89.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.967 -0.382 . . . . 1.02 109.967 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.91 90.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.76 -0.655 . . . . 0.21 110.572 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -61.44 -49.93 74.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.51 -0.768 . . . . 1.6 110.276 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.38 -52.72 64.4 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.903 -0.59 . . . . 1.83 111.311 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -58.2 -34.8 70.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.969 0.359 . . . . 0.44 111.969 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . 0.414 ' O ' ' HG3' ' A' ' 717' ' ' GLU . 12.5 m-85 -67.83 -42.03 82.08 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 120.165 -0.614 . . . . 2.95 110.336 173.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -63.54 -29.78 70.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.378 0.609 . . . . 1.98 110.571 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -83.45 -33.78 25.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.545 -0.752 . . . . 1.67 109.132 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.53 83.53 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.075 0.464 . . . . 0.25 110.039 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 713' ' ' TYR . 40.5 mt-10 -59.94 -46.62 88.8 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.769 -0.65 . . . . 2.16 110.443 176.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -58.42 -44.19 88.98 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.282 -0.417 . . . . 2.2 110.406 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -53.03 -53.93 42.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.37 111.096 178.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 20.4 m0 . . . . . 0 C--N 1.328 -0.354 0 N-CA-C 112.028 0.381 . . . . 0.47 112.028 -178.231 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 36.3 p90 . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.645 0.26 . . . . 0.81 111.194 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 55.5 mtt -73.28 -30.96 63.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.582 -0.281 . . . . 1.17 110.388 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -72.89 -45.34 58.74 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.609 -0.886 . . . . 1.2 108.609 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . 0.419 HD23 ' HG3' ' A' ' 695' ' ' GLN . 9.6 mp -60.33 -37.6 81.13 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.618 -0.719 . . . . 0.82 110.374 176.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.09 -33.69 57.0 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.23 110.589 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -64.4 -39.36 93.7 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.232 -0.655 . . . . 3.33 109.232 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . 0.415 ' O ' HD23 ' A' ' 675' ' ' LEU . 20.3 tp10 -63.67 -49.4 73.3 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.309 -0.86 . . . . 1.89 108.839 177.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.51 73.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.411 -0.813 . . . . 0.23 111.144 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.94 -39.57 90.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.527 . . . . 1.76 110.307 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 66.4 mtm -74.81 -18.13 60.51 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.31 -0.405 . . . . 0.79 110.615 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . 0.435 HD11 ' HD2' ' A' ' 688' ' ' ARG . 3.6 mm? -85.07 -28.51 25.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.751 0.31 . . . . 0.53 110.591 175.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 38.1 t80 . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 116.48 -0.327 . . . . 0.82 111.031 -179.486 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 110.215 -0.291 . . . . 1.68 110.215 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -52.2 -32.89 52.11 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 123.344 2.696 . . . . 0.42 113.712 -178.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.91 -51.79 36.2 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 109.21 -0.663 . . . . 2.21 109.21 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . 0.435 ' HD2' HD11 ' A' ' 675' ' ' LEU . 15.3 ttm180 -66.75 -36.88 83.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.604 -0.725 . . . . 3.24 109.636 -177.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 20.7 m -54.56 -52.28 62.58 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.522 -0.763 . . . . 1.11 110.492 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.85 -34.85 83.67 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.308 -0.948 . . . . 0.19 112.141 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.36 -44.32 96.75 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.29 0.567 . . . . 1.54 109.831 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 55.5 mt -73.93 -36.37 64.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.89 -0.595 . . . . 1.35 111.137 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -65.95 -37.85 87.08 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.934 -0.306 . . . . 1.33 110.812 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 18.2 p -73.74 -35.66 65.06 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.731 -0.388 . . . . 0.31 110.287 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . 0.419 ' HG3' HD23 ' A' ' 668' ' ' LEU . 9.0 tp-100 -66.5 -39.35 88.67 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.259 -0.645 . . . . 2.13 109.259 175.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.77 95.71 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.88 -0.6 . . . . 0.18 110.825 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.95 79.12 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.941 0.401 . . . . 0.2 109.957 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.85 -45.09 94.19 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.799 -0.637 . . . . 1.84 109.632 175.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -68.25 -28.32 67.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.21 110.777 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.79 -47.73 36.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.16 110.635 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -69.96 -29.89 67.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.76 110.242 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -69.28 -31.0 69.22 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.602 -0.518 . . . . 2.58 109.602 175.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -83.58 9.14 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.885 -0.598 . . . . 0.45 111.091 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 62.3 mtt 67.78 31.26 5.95 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.133 -0.485 . . . . 2.61 110.988 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -119.62 78.12 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.424 0.63 . . . . 1.59 110.823 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -62.29 -33.06 84.89 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.067 -0.97 . . . . 0.47 114.01 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -62.47 -49.07 76.86 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 117.537 0.669 . . . . 3.9 109.959 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.98 -45.62 91.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.449 -0.796 . . . . 1.02 110.259 177.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.64 -41.04 80.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.715 -0.675 . . . . 0.21 110.984 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -62.26 -51.97 65.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 1.6 110.205 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -55.89 -56.07 25.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 1.83 110.88 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -61.87 -35.62 78.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.351 0.501 . . . . 0.44 112.351 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -69.69 -40.72 76.18 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 119.461 -0.896 . . . . 2.95 109.724 176.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -64.2 -25.93 68.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.54 0.686 . . . . 1.98 109.86 178.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -81.47 -35.09 30.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.167 -0.924 . . . . 1.67 108.646 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.28 80.52 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.501 -0.772 . . . . 0.25 110.432 174.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -66.02 -43.87 86.39 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.34 -0.846 . . . . 2.16 108.724 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -64.6 -36.73 85.18 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.141 -0.481 . . . . 2.2 111.366 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.91 -51.3 68.08 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.844 0.355 . . . . 0.37 110.764 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 27.3 m0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.47 111.79 -179.829 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . 0.589 ' CE2' ' HG3' ' A' ' 666' ' ' MET . 32.5 p90 . . . . . 0 C--O 1.227 -0.115 0 N-CA-C 112.152 0.427 . . . . 0.81 112.152 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . 0.589 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 48.8 mtt -70.75 -39.51 73.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.585 0.231 . . . . 1.17 111.133 -177.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -69.78 -42.77 73.37 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 109.079 -0.712 . . . . 1.2 109.079 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 8.9 mp -63.57 -36.2 83.01 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.579 -0.737 . . . . 0.82 110.709 177.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.14 -30.9 55.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.902 0.382 . . . . 0.23 110.159 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -62.73 -46.39 88.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.029 -0.532 . . . . 3.33 110.189 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.48 -41.5 93.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.707 -0.479 . . . . 1.89 109.707 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.67 -40.97 76.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.063 0.458 . . . . 0.23 110.941 175.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.73 -44.11 94.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.894 -0.594 . . . . 1.76 110.4 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.8 mtm -67.91 -29.74 68.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.871 -0.604 . . . . 0.79 111.09 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.23 -31.11 30.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.685 0.278 . . . . 0.53 111.128 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 61.8 t80 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.406 -0.361 . . . . 0.82 110.636 -178.568 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 19.0 t70 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.492 0.187 . . . . 1.68 110.514 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . 0.4 ' HB3' ' O ' ' A' ' 719' ' ' ALA . 54.3 Cg_exo -55.53 -28.02 62.56 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.945 2.43 . . . . 0.42 113.3 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -67.78 -54.62 17.75 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 120.722 0.296 . . . . 2.21 110.701 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -67.74 -32.79 73.65 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.729 -0.471 . . . . 3.24 109.729 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 28.8 m -56.32 -49.05 75.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.949 -0.568 . . . . 1.11 110.739 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.72 -32.74 70.71 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 120.25 -0.976 . . . . 0.19 112.256 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 35.4 t70 -64.43 -41.56 96.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.272 0.558 . . . . 1.54 109.689 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 42.3 mt -71.48 -36.88 71.29 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.879 -0.601 . . . . 1.35 111.041 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -70.98 -32.76 69.7 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.947 -0.301 . . . . 1.33 111.545 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 7.3 p -72.47 -37.41 68.48 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.579 -0.448 . . . . 0.31 109.975 176.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 28.0 mt-30 -64.18 -41.54 97.06 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.324 -0.621 . . . . 2.13 109.324 173.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.84 94.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.798 -0.637 . . . . 0.18 111.278 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.38 90.78 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.2 110.348 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 701' ' ' MET . 19.3 tt0 -59.76 -45.96 90.63 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.758 -0.655 . . . . 1.84 109.522 175.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -69.87 -27.42 64.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.768 -0.651 . . . . 0.21 110.922 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.61 -46.98 51.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.176 -0.465 . . . . 0.16 110.891 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 698' ' ' GLU . 25.1 ptt? -67.46 -27.02 66.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.647 -0.501 . . . . 0.76 109.647 177.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -72.49 -31.04 65.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.183 -0.917 . . . . 2.58 110.525 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -95.26 17.69 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.466 -0.788 . . . . 0.45 111.371 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 49.2 mtt 64.27 29.78 13.65 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.035 -0.53 . . . . 2.61 111.315 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -114.47 85.65 2.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.788 0.327 . . . . 1.59 110.846 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -57.75 -54.35 38.07 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.936 -0.574 . . . . 0.47 113.76 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -62.03 -36.16 80.75 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 117.066 0.433 . . . . 3.9 111.214 -176.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.6 -43.72 96.1 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.788 -0.449 . . . . 1.02 109.788 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.72 90.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.584 -0.734 . . . . 0.21 110.339 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -61.4 -50.71 71.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.219 -0.446 . . . . 1.6 110.474 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -55.76 -56.2 23.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.132 -0.485 . . . . 1.83 111.083 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -62.14 -32.2 72.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.248 -0.433 . . . . 0.44 111.785 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -70.68 -39.19 73.68 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.383 -0.599 . . . . 2.95 109.383 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.53 -28.22 69.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.29 -0.868 . . . . 1.98 110.22 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -87.88 -25.3 23.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.651 -0.704 . . . . 1.67 109.266 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.35 -46.94 71.9 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.907 -0.588 . . . . 0.25 109.679 173.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -61.69 -44.98 95.89 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.829 -0.623 . . . . 2.16 109.901 175.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -54.76 -48.19 72.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.977 -0.556 . . . . 2.2 110.69 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 686' ' ' PRO . . . -60.57 -44.88 95.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.575 -0.739 . . . . 0.37 111.767 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 32.8 m0 . . . . . 0 C--N 1.324 -0.52 0 C-N-CA 120.277 -0.569 . . . . 0.47 111.505 -179.205 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 705' ' ' LYS . 25.0 p90 . . . . . 0 C--O 1.222 -0.389 0 N-CA-C 111.559 0.207 . . . . 0.81 111.559 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 67.4 mtt -71.22 -41.74 69.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.028 0.442 . . . . 1.17 110.253 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 44.9 ttp -69.25 -45.12 70.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.732 -0.667 . . . . 1.2 109.701 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.87 -34.2 77.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.595 -0.73 . . . . 0.82 110.803 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.98 -31.61 56.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.87 0.367 . . . . 0.23 110.13 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -65.59 -42.34 91.81 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.558 -0.534 . . . . 3.33 109.558 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -66.22 -44.41 83.89 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.153 -0.684 . . . . 1.89 109.153 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 692' ' ' LEU . . . -55.21 -41.7 72.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.873 -0.603 . . . . 0.23 111.406 174.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -64.87 -38.19 90.13 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.697 0.284 . . . . 1.76 110.691 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.4 mtm -73.23 -21.07 60.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.512 -0.313 . . . . 0.79 110.838 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.94 -26.91 23.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.69 0.281 . . . . 0.53 110.8 174.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 35.3 t80 . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.567 -0.288 . . . . 0.82 111.445 -177.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . 0.501 ' OD2' ' HB3' ' A' ' 687' ' ' GLN . 22.3 t70 . . . . . 0 C--O 1.233 0.227 0 N-CA-C 110.036 -0.357 . . . . 1.68 110.036 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.44 -29.65 49.86 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.338 2.692 . . . . 0.42 113.811 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . 0.501 ' HB3' ' OD2' ' A' ' 685' ' ' ASP . 27.7 tp60 -66.01 -52.37 49.86 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.649 -0.5 . . . . 2.21 109.649 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -67.02 -35.3 79.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.744 -0.662 . . . . 3.24 109.557 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 17.9 m -55.06 -55.16 34.07 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.683 -0.69 . . . . 1.11 110.659 176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.5 -32.65 71.55 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.139 -1.029 . . . . 0.19 111.858 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 32.3 t70 -62.22 -45.77 91.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.381 0.61 . . . . 1.54 109.723 178.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 672' ' ' ALA . 0.3 OUTLIER -74.34 -34.68 63.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 1.35 111.045 179.628 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . 0.413 ' CE2' ' HD2' ' A' ' 715' ' ' LYS . 7.5 m-85 -65.71 -37.77 87.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.664 0.269 . . . . 1.33 111.108 177.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 15.5 p -72.05 -34.8 69.03 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.625 -0.43 . . . . 0.31 110.171 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 27.9 mt-30 -64.88 -44.37 89.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.881 -0.414 . . . . 2.13 109.881 172.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.91 93.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.18 111.039 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -70.12 -35.53 74.16 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.2 110.526 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -60.6 -45.86 92.41 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.33 -0.618 . . . . 1.84 109.33 174.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -69.16 -26.21 64.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.989 -0.551 . . . . 0.21 110.964 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.03 -50.18 43.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.259 -0.428 . . . . 0.16 110.391 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -69.68 -25.31 63.82 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.704 -0.48 . . . . 0.76 109.704 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -67.56 -39.95 84.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.66 -0.7 . . . . 2.58 109.634 174.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.26 22.35 2.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.276 -0.875 . . . . 0.45 111.919 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 95.0 mmm 65.87 20.44 11.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.098 0.475 . . . . 2.61 111.909 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 665' ' ' TYR . 74.5 mmtt -107.86 65.1 0.63 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.078 -0.51 . . . . 1.59 109.734 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -57.39 -36.23 75.62 Favored Glycine 0 CA--C 1.517 0.183 0 CA-C-N 115.688 -0.687 . . . . 0.47 113.199 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -63.6 -45.01 92.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.937 0.398 . . . . 3.9 110.451 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.85 -42.68 98.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.96 -0.564 . . . . 1.02 109.883 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -56.87 -54.13 50.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.34 -0.846 . . . . 0.21 110.73 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -54.45 -48.64 71.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.264 -0.425 . . . . 1.6 110.728 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -57.56 -54.5 46.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.529 -0.305 . . . . 1.83 111.615 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -63.0 -27.01 69.13 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.316 0.487 . . . . 0.44 112.316 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -71.42 -40.79 70.21 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.397 -0.521 . . . . 2.95 109.997 172.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -64.69 -24.85 67.7 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.721 0.772 . . . . 1.98 109.629 175.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 715' ' ' LYS . 4.7 tmtp? -83.15 -37.23 23.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.293 -0.867 . . . . 1.67 108.823 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.42 98.88 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.834 -0.621 . . . . 0.25 110.076 173.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.56 -48.62 80.28 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.99 -0.55 . . . . 2.16 109.876 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -53.71 -46.54 70.79 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.169 -0.469 . . . . 2.2 110.725 176.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.27 -54.85 38.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.901 -0.591 . . . . 0.37 111.413 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 16.3 m0 . . . . . 0 C--N 1.328 -0.365 0 N-CA-C 112.044 0.387 . . . . 0.47 112.044 -178.403 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 1.8 p90 . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.504 0.192 . . . . 0.81 111.406 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 19.4 mmt -73.23 -38.88 65.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.649 0.262 . . . . 1.17 110.308 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 59.2 ttp -72.18 -43.35 64.67 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.546 -0.539 . . . . 1.2 109.546 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.55 -39.1 89.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.545 -0.752 . . . . 0.82 110.549 177.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.88 -32.92 57.81 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.739 0.304 . . . . 0.23 110.484 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -61.84 -47.15 86.36 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.7 -0.481 . . . . 3.33 109.7 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.19 -43.74 90.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.304 -0.628 . . . . 1.89 109.304 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.44 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -54.56 -41.89 70.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.895 -0.593 . . . . 0.23 111.358 175.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.52 -41.0 89.45 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.428 -0.351 . . . . 1.76 110.401 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 70.4 mtm -68.43 -26.75 65.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.79 110.496 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.39 -23.17 26.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 0.53 110.671 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 25.5 t80 . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.242 -0.436 . . . . 0.82 110.703 179.024 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.265 -0.643 . . . . 1.68 109.265 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -51.58 -33.22 47.41 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.17 2.58 . . . . 0.42 113.636 -177.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -69.08 -54.0 17.36 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.633 0.254 . . . . 2.21 110.389 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -67.08 -34.6 78.01 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.272 -0.64 . . . . 3.24 109.272 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 34.5 t -53.12 -55.16 26.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.717 -0.674 . . . . 1.11 110.528 175.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -66.89 -32.92 82.43 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.228 -0.987 . . . . 0.19 112.085 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.65 -44.59 93.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.145 0.498 . . . . 1.54 109.788 178.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 40.6 mt -70.25 -37.66 74.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.054 -0.521 . . . . 1.35 110.601 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . 0.44 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 7.8 m-85 -66.82 -38.91 87.36 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.19 -0.204 . . . . 1.33 111.129 177.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 19.6 p -73.58 -34.36 65.08 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.738 -0.385 . . . . 0.31 110.63 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -69.79 -39.51 76.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.938 -0.393 . . . . 2.13 109.938 174.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.95 97.85 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.228 -0.442 . . . . 0.18 110.482 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.78 74.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.849 0.356 . . . . 0.2 110.387 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -60.38 -49.26 78.28 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.862 -0.608 . . . . 1.84 109.709 174.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -66.88 -26.68 67.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.909 -0.587 . . . . 0.21 110.962 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.37 -49.69 25.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.982 -0.554 . . . . 0.16 110.707 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -67.35 -30.84 70.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.978 0.418 . . . . 0.76 110.165 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -68.42 -28.08 66.76 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.168 0.508 . . . . 2.58 109.969 176.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -95.12 17.65 13.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.715 -0.675 . . . . 0.45 111.091 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 26.3 mmt 59.11 41.52 20.41 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.992 -0.549 . . . . 2.61 111.364 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -114.43 84.17 2.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.969 -0.559 . . . . 1.59 110.156 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -53.96 -58.43 12.67 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.946 -0.57 . . . . 0.47 114.079 -178.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 707' ' ' ARG . 22.8 ttt180 -57.76 -40.47 79.84 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.997 0.399 . . . . 3.9 111.329 -176.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.74 -51.84 65.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.425 -0.352 . . . . 1.02 110.244 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -59.27 -46.66 87.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.751 -0.659 . . . . 0.21 111.055 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -59.3 -49.83 76.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 1.6 110.385 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -56.05 -56.51 19.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.539 . . . . 1.83 111.531 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -61.9 -32.93 73.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.31 -0.405 . . . . 0.44 111.859 -178.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -69.07 -40.05 78.7 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.359 -0.537 . . . . 2.95 109.95 173.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -58.79 -37.16 75.71 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.529 0.681 . . . . 1.98 110.299 176.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.35 -27.16 27.91 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 109.061 -0.718 . . . . 1.67 109.061 -175.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.58 94.54 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 109.688 -0.486 . . . . 0.25 109.688 172.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -63.55 -48.49 77.28 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.755 -0.657 . . . . 2.16 109.756 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -59.33 -37.94 79.07 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.593 -0.276 . . . . 2.2 111.058 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -58.43 -54.01 51.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.634 0.254 . . . . 0.37 110.941 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 24.0 m0 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.339 -0.391 . . . . 0.47 111.937 -178.536 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 705' ' ' LYS . 9.3 p90 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 111.711 0.263 . . . . 0.81 111.711 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 14.7 mmt -71.35 -38.84 71.6 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.612 -0.435 . . . . 1.17 110.512 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 48.4 ttp -64.89 -49.45 70.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.2 0.524 . . . . 1.2 109.715 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.57 -32.2 73.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.426 -0.806 . . . . 0.82 110.946 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.43 -36.19 58.12 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.871 -0.332 . . . . 0.23 110.371 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -64.12 -42.6 96.8 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.554 -0.535 . . . . 3.33 109.554 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -62.53 -46.6 87.65 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.103 -0.703 . . . . 1.89 109.103 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -59.44 -41.39 89.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.794 -0.639 . . . . 0.23 111.187 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.43 -42.11 99.2 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.19 -0.459 . . . . 1.76 110.183 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 68.9 mtm -67.89 -37.1 81.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.79 110.643 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -72.34 -30.06 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.711 0.291 . . . . 0.53 111.164 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . 0.471 ' CE2' ' HA ' ' A' ' 719' ' ' ALA . 32.4 t80 . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 111.948 0.351 . . . . 0.82 111.948 -176.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 23.8 t70 . . . . . 0 N--CA 1.455 -0.205 0 N-CA-C 109.696 -0.483 . . . . 1.68 109.696 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.97 -31.61 64.35 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.885 2.39 . . . . 0.42 113.33 -176.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . 0.46 ' HA ' ' HE1' ' A' ' 720' ' ' TRP . 57.7 tp60 -69.92 -53.22 18.87 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.617 0.246 . . . . 2.21 110.366 -177.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -65.93 -32.23 73.61 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.503 -0.555 . . . . 3.24 109.503 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 40.6 m -54.59 -53.9 48.53 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.043 -0.526 . . . . 1.11 110.46 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.09 -31.79 72.43 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.267 -0.968 . . . . 0.19 111.92 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . 0.532 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 37.7 t70 -62.02 -46.04 90.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.25 0.548 . . . . 1.54 109.8 176.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 48.6 mt -71.12 -35.6 71.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.931 -0.577 . . . . 1.35 111.022 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -64.08 -39.63 94.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 1.33 110.668 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 11.8 p -74.38 -34.02 63.22 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.831 -0.348 . . . . 0.31 110.667 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 77.7 mt-30 -63.79 -44.96 91.81 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.168 -0.678 . . . . 2.13 109.168 172.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.88 95.16 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.429 -0.805 . . . . 0.18 110.952 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.51 79.83 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.792 0.329 . . . . 0.2 110.639 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.11 -48.03 83.53 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.385 -0.598 . . . . 1.84 109.385 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -65.3 -27.96 68.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.054 -0.521 . . . . 0.21 111.027 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.46 -50.72 35.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.09 -0.504 . . . . 0.16 110.548 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -68.37 -26.98 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.934 0.397 . . . . 0.76 110.032 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -68.57 -37.96 80.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.815 -0.629 . . . . 2.58 109.96 174.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.18 18.54 4.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.81 -0.632 . . . . 0.45 111.711 -177.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 62.0 mtm 66.1 28.58 10.23 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.283 -0.417 . . . . 2.61 111.398 177.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 665' ' ' TYR . 73.9 mmtt -113.33 72.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.98 0.419 . . . . 1.59 110.032 -178.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -60.75 -39.27 96.47 Favored Glycine 0 CA--C 1.518 0.257 0 CA-C-N 115.993 -0.549 . . . . 0.47 113.953 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -63.69 -42.93 97.94 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.052 0.453 . . . . 3.9 110.183 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.45 -43.76 98.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.752 -0.658 . . . . 1.02 109.629 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.69 -56.48 21.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.721 -0.672 . . . . 0.21 110.804 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -52.96 -48.65 67.22 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.308 -0.405 . . . . 1.6 110.656 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -54.82 -58.26 8.28 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.012 -0.54 . . . . 1.83 111.084 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -62.97 -28.88 70.39 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.777 0.658 . . . . 0.44 112.777 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -68.39 -47.46 67.29 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.451 -0.5 . . . . 2.95 109.753 173.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -66.1 -23.74 66.56 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.703 -0.68 . . . . 1.98 109.979 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -81.26 -34.74 31.88 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.515 -0.92 . . . . 1.67 108.515 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.17 91.68 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.451 -0.795 . . . . 0.25 110.053 171.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -59.66 -44.29 93.62 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.734 -0.666 . . . . 2.16 110.131 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -54.25 -48.95 70.6 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.117 -0.492 . . . . 2.2 110.319 175.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . 0.471 ' HA ' ' CE2' ' A' ' 676' ' ' PHE . . . -55.82 -53.21 59.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.435 -0.348 . . . . 0.37 111.765 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . 0.46 ' HE1' ' HA ' ' A' ' 687' ' ' GLN . 24.2 m0 . . . . . 0 C--N 1.325 -0.483 0 N-CA-C 112.425 0.528 . . . . 0.47 112.425 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 14.4 p90 . . . . . 0 CA--C 1.531 0.215 0 CA-C-O 120.664 0.269 . . . . 0.81 111.659 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 64.1 mtt -75.19 -36.67 61.43 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.039 -0.264 . . . . 1.17 110.711 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 56.2 ttp -69.29 -45.42 69.63 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.431 -0.581 . . . . 1.2 109.431 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.8 -38.47 88.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.28 -0.873 . . . . 0.82 110.802 178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.46 -32.62 54.55 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 121.012 -0.275 . . . . 0.23 110.417 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -64.03 -43.95 94.01 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.805 -0.443 . . . . 3.33 109.805 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.06 -47.13 86.07 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.125 -0.694 . . . . 1.89 109.125 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.86 -39.8 82.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.635 -0.711 . . . . 0.23 111.39 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -65.33 -45.17 85.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 1.76 110.306 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 72.0 mtm -67.07 -27.63 67.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.817 -0.629 . . . . 0.79 110.407 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 61.6 mt -87.22 -9.49 54.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.478 -0.328 . . . . 0.53 111.432 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . 0.466 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 63.5 t80 . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 120.906 0.384 . . . . 0.82 111.331 178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.833 -0.432 . . . . 1.68 109.833 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -53.21 -28.51 42.47 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.948 2.432 . . . . 0.42 113.343 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -69.29 -54.88 12.4 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.654 0.264 . . . . 2.21 110.434 -177.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -68.95 -32.44 72.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 3.24 110.024 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . 0.466 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 27.3 t -54.41 -50.16 68.24 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.746 -0.661 . . . . 1.11 110.249 177.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.71 -33.75 81.39 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.364 -0.922 . . . . 0.19 112.058 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -62.5 -44.82 95.44 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.191 0.52 . . . . 1.54 110.387 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 28.8 mt -72.93 -30.51 63.95 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.582 -0.447 . . . . 1.35 111.23 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -67.71 -37.2 81.92 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.752 -0.379 . . . . 1.33 110.919 174.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 18.0 p -71.3 -40.85 70.57 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.807 -0.357 . . . . 0.31 110.387 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -38.42 91.04 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.302 -0.629 . . . . 2.13 109.302 176.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -63.63 -37.69 88.29 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.534 -0.757 . . . . 0.18 111.078 175.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.43 88.31 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.645 0.259 . . . . 0.2 110.725 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -45.14 91.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 1.84 110.005 175.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -70.58 -30.57 67.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.21 111.04 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -69.74 -48.38 59.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.16 110.704 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -67.88 -28.78 67.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.76 110.113 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.31 -26.29 61.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.328 0.585 . . . . 2.58 109.847 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.74 14.97 10.5 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.748 -0.66 . . . . 0.45 110.622 175.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 75.2 mtp 60.7 35.26 19.77 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.438 -0.801 . . . . 2.61 111.253 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -120.03 80.64 1.62 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.863 -0.608 . . . . 1.59 110.834 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -59.12 -37.9 92.33 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.006 -0.997 . . . . 0.47 113.323 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . 0.467 ' O ' ' HG3' ' A' ' 711' ' ' GLN . 50.0 ttp180 -57.6 -49.68 75.63 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 117.19 0.495 . . . . 3.9 110.143 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.08 -47.05 87.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.841 -0.618 . . . . 1.02 110.329 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -59.7 -43.04 94.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.705 -0.68 . . . . 0.21 111.0 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . 0.516 HD22 ' C ' ' A' ' 710' ' ' ASN . 0.2 OUTLIER -61.66 -50.31 73.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.6 109.749 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 707' ' ' ARG . 21.9 mt-30 -57.77 -53.55 56.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.531 . . . . 1.83 110.81 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -60.74 -35.68 76.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.484 . . . . 0.44 112.03 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -66.19 -42.04 89.41 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.257 0.551 . . . . 2.95 109.995 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -66.51 -28.46 68.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.094 -0.957 . . . . 1.98 110.201 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -87.46 -34.88 18.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.618 -0.719 . . . . 1.67 109.393 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.24 91.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.375 0.607 . . . . 0.25 109.951 175.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -68.31 -40.62 81.64 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.265 -0.88 . . . . 2.16 109.142 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -62.47 -41.27 98.66 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.749 -0.659 . . . . 2.2 110.626 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.7 -50.59 72.69 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.017 -0.538 . . . . 0.37 110.913 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 35.4 m0 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.47 111.371 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 2.9 p90 . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 111.84 0.311 . . . . 0.81 111.84 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 62.1 mtt -69.56 -42.14 74.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.723 0.296 . . . . 1.17 110.758 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 58.5 ttp -69.59 -42.35 74.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.015 0.436 . . . . 1.2 109.983 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.94 -33.47 76.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.82 110.967 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -78.02 -34.65 50.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 0.23 110.066 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -59.39 -46.62 88.17 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.364 -0.606 . . . . 3.33 109.364 173.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.54 -48.01 81.38 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.436 -0.802 . . . . 1.89 109.2 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -58.23 -39.71 79.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.659 -0.701 . . . . 0.23 111.779 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.29 -39.2 82.16 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 110.042 -0.355 . . . . 1.76 110.042 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 66.0 mtm -68.02 -29.53 68.55 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.409 -0.36 . . . . 0.79 110.283 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -80.18 -26.75 39.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.737 0.303 . . . . 0.53 110.899 178.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . 0.539 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 28.6 t80 . . . . . 0 C--N 1.324 -0.526 0 C-N-CA 120.901 -0.32 . . . . 0.82 111.059 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.676 -0.49 . . . . 1.68 109.676 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.37 -32.45 42.15 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.95 2.433 . . . . 0.42 113.338 -179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -67.04 -55.09 15.87 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 120.698 0.285 . . . . 2.21 110.523 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -69.1 -32.4 71.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.673 -0.492 . . . . 3.24 109.673 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . 0.539 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 32.3 t -55.52 -51.59 66.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.919 -0.582 . . . . 1.11 110.425 176.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.86 -30.59 67.96 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 120.272 -0.966 . . . . 0.19 111.668 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.61 -42.49 95.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.292 0.567 . . . . 1.54 109.82 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 65.1 mt -70.48 -35.44 73.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.076 -0.511 . . . . 1.35 110.682 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . 0.418 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 9.6 m-85 -66.82 -36.89 83.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.751 -0.204 . . . . 1.33 111.018 176.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 11.8 p -72.54 -36.34 68.26 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.667 -0.413 . . . . 0.31 110.326 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -63.39 -42.63 98.8 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.398 -0.593 . . . . 2.13 109.398 172.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.25 91.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.638 -0.71 . . . . 0.18 110.899 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.13 -37.01 84.65 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 110.393 -0.225 . . . . 0.2 110.393 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.76 -50.85 72.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 1.84 109.927 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -65.49 -28.33 69.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.21 111.175 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.26 -50.46 27.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.195 -0.457 . . . . 0.16 110.815 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -66.89 -29.24 69.08 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.116 -0.328 . . . . 0.76 110.116 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -64.29 -39.04 93.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.968 -0.56 . . . . 2.58 110.299 174.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.61 21.53 3.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.559 -0.746 . . . . 0.45 111.287 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 21.7 mmt 60.21 31.79 20.62 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.301 0.572 . . . . 2.61 111.198 176.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -106.05 71.24 0.88 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.931 -0.577 . . . . 1.59 109.876 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -51.11 -51.68 34.53 Favored Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.496 -0.775 . . . . 0.47 113.679 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -60.72 -41.94 96.28 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 117.031 0.415 . . . . 3.9 110.987 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.22 -48.19 81.1 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.843 -0.429 . . . . 1.02 109.843 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.32 -51.07 70.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.21 110.808 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -52.99 -52.71 57.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.867 -0.606 . . . . 1.6 110.944 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -59.14 -55.61 32.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.098 -0.501 . . . . 1.83 111.513 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -57.6 -34.81 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.706 0.262 . . . . 0.44 111.706 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -72.42 -42.33 65.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 119.989 -0.685 . . . . 2.95 110.117 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -64.26 -25.43 68.05 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.481 0.658 . . . . 1.98 110.007 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -83.19 -34.56 25.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.437 -0.802 . . . . 1.67 108.945 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -61.2 -48.54 81.07 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.89 -0.595 . . . . 0.25 109.782 171.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.47 -43.76 96.59 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.264 -0.88 . . . . 2.16 110.818 177.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.99 -44.17 94.7 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.12 0.262 . . . . 2.2 110.519 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.61 -51.63 67.93 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.295 -0.412 . . . . 0.37 111.036 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 30.4 m0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.47 111.689 -179.95 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 9.3 p90 . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 111.974 0.361 . . . . 0.81 111.974 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 13.2 mmt -72.08 -36.26 69.47 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.45 -0.5 . . . . 1.17 110.614 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 60.1 ttp -70.63 -47.02 62.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.223 0.535 . . . . 1.2 109.573 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.12 -36.91 85.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.434 -0.803 . . . . 0.82 110.693 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.6 -34.53 53.47 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 121.089 -0.244 . . . . 0.23 110.372 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -64.77 -42.71 94.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.809 -0.441 . . . . 3.33 109.809 175.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -66.32 -42.97 87.47 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.404 -0.591 . . . . 1.89 109.404 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 672' ' ' ALA . . . . . 0.421 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -58.03 -39.52 78.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.23 110.93 174.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -63.44 -44.69 93.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.663 -0.699 . . . . 1.76 110.005 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.0 mtm -71.55 -20.42 62.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.71 -0.677 . . . . 0.79 110.554 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -85.56 -22.77 27.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.514 -0.312 . . . . 0.53 110.611 175.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 676' ' ' PHE . . . . . 0.45 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 24.8 t80 . . . . . 0 C--N 1.325 -0.479 0 C-N-CA 120.949 -0.3 . . . . 0.82 110.935 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.5 t70 . . . . . 0 CA--C 1.531 0.216 0 N-CA-C 109.362 -0.607 . . . . 1.68 109.362 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.02 -31.82 55.32 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.091 2.527 . . . . 0.42 113.763 -177.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -68.87 -54.54 15.06 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.266 0.555 . . . . 2.21 110.367 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -67.72 -34.65 77.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.401 -0.818 . . . . 3.24 109.521 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 689' ' ' SER . . . . . 0.45 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 25.1 t -55.52 -52.4 63.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.523 -0.762 . . . . 1.11 110.437 176.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.45 -32.9 71.82 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.144 -1.026 . . . . 0.19 111.973 -178.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -63.49 -46.59 85.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.048 0.451 . . . . 1.54 109.891 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.13 -36.83 80.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.089 -0.505 . . . . 1.35 110.939 178.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 693' ' ' TYR . . . . . 0.421 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 5.4 m-85 -65.85 -37.73 86.96 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.607 0.241 . . . . 1.33 111.11 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 7.0 p -72.94 -35.75 67.05 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.572 -0.451 . . . . 0.31 110.555 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -66.81 -40.82 88.18 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.261 0.553 . . . . 2.13 109.861 174.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.21 97.38 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.768 -0.651 . . . . 0.18 110.623 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.76 -33.92 76.69 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.884 0.373 . . . . 0.2 110.309 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.7 -48.94 79.68 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.85 -0.614 . . . . 1.84 109.799 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.84 -25.96 65.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.21 110.926 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.27 -46.31 50.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 0.16 110.83 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -71.32 -23.77 62.0 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.258 -0.275 . . . . 0.76 110.258 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -60.92 -39.47 89.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.35 0.595 . . . . 2.58 110.027 171.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -83.68 9.84 10.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.455 -0.793 . . . . 0.45 110.302 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 97.8 mmm 59.75 32.31 21.32 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.438 -0.801 . . . . 2.61 111.186 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -102.71 80.43 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.875 -0.602 . . . . 1.59 109.966 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -58.34 -41.54 95.15 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.194 -0.912 . . . . 0.47 113.785 -175.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -62.58 -47.65 82.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 117.032 0.416 . . . . 3.9 110.981 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 36.6 mt -64.87 -44.65 89.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 1.02 110.26 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.39 -45.95 83.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.768 -0.651 . . . . 0.21 110.612 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -64.16 -44.63 91.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 1.6 110.267 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -56.14 -54.25 47.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.968 0.413 . . . . 1.83 110.923 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -64.9 -30.67 71.67 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.177 0.436 . . . . 0.44 112.177 -178.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -68.05 -42.6 80.27 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.343 -0.543 . . . . 2.95 109.681 171.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -61.02 -29.06 69.49 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.485 -0.78 . . . . 1.98 110.345 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.9 tptm -82.85 -34.17 26.89 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.387 -0.824 . . . . 1.67 109.008 -177.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.62 81.87 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.036 -0.529 . . . . 0.25 109.783 172.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -50.75 -53.47 31.36 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.408 -0.814 . . . . 2.16 110.182 173.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -57.83 -43.61 85.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.921 -0.581 . . . . 2.2 111.332 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.0 77.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.37 111.276 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 17.9 m0 . . . . . 0 C--N 1.327 -0.404 0 C-N-CA 120.813 -0.355 . . . . 0.47 111.728 -179.379 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 112.004 -0.438 . . . . 15.53 112.004 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 36.1 t -95.21 -56.41 2.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.18 0.514 . . . . 14.35 110.135 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -155.36 131.9 10.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.767 -0.651 . . . . 13.37 109.531 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 52.0 tpp -56.07 121.74 10.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.124 -0.489 . . . . 13.3 110.301 -178.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 13.4 m -117.42 150.92 47.41 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 116.037 -0.529 . . . . 9.26 110.012 -175.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.19 62.44 6.8 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.626 2.217 . . . . 7.14 112.127 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -74.06 -2.58 24.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.545 -0.752 . . . . 7.07 110.564 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -91.87 47.37 1.34 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.424 -0.807 . . . . 8.95 109.794 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 9.4 m -67.03 -19.28 65.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.622 -0.717 . . . . 4.38 111.635 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -92.92 -13.3 29.07 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.937 0.399 . . . . 4.67 111.171 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.92 -26.53 64.19 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.507 0.558 . . . . 5.22 112.507 -171.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . 0.436 ' HB3' ' CA ' ' A' ' 706' ' ' GLY . 70.1 p-90 -76.99 -32.48 57.25 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 119.723 -0.791 . . . . 3.28 110.768 -179.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 635' ' ' LEU . 4.8 mp -69.56 -43.57 72.65 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.931 -0.766 . . . . 3.12 108.931 174.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.476 ' O ' ' HD1' ' A' ' 640' ' ' TRP . 27.7 tp10 -60.27 -48.21 82.69 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.928 -1.033 . . . . 5.37 110.214 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.3 -48.43 81.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.639 -0.71 . . . . 2.89 111.79 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -73.64 -20.21 60.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.555 -0.293 . . . . 2.25 111.15 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -72.8 -42.35 63.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 5.62 110.161 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . 0.476 ' HD1' ' O ' ' A' ' 636' ' ' GLU . 74.9 m95 -74.01 -16.6 61.06 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.463 -0.335 . . . . 7.07 110.967 178.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 6.7 t80 67.43 171.08 0.26 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.632 -0.713 . . . . 5.5 110.013 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . 0.478 ' O ' ' HG3' ' A' ' 717' ' ' GLU . 0.2 OUTLIER -147.75 93.36 2.19 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.087 -0.709 . . . . 4.9 109.087 177.522 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 30.1 p -79.56 51.55 1.27 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.837 -0.62 . . . . 4.46 112.537 -173.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . 68.64 -59.92 0.45 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.479 0.712 . . . . 5.98 112.848 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 83.5 mt -84.51 1.81 43.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.92 0.391 . . . . 8.01 111.68 -171.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.436 ' HB2' ' ND2' ' A' ' 642' ' ' ASN . 43.7 mt-10 -89.48 113.57 24.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.198 -0.455 . . . . 8.8 109.939 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 26.7 ptm -87.54 148.28 24.96 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.771 0.32 . . . . 12.08 110.197 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 46.4 p -118.66 -169.19 1.67 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.185 -0.461 . . . . 10.68 110.322 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -72.4 -26.26 61.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.762 0.315 . . . . 13.39 111.667 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 34.5 t 61.25 28.77 18.27 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.746 -0.661 . . . . 12.15 110.107 -175.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -76.45 81.76 3.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.742 0.782 . . . . 13.19 111.263 -178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . 0.407 ' HB2' ' HG2' ' A' ' 707' ' ' ARG . 17.6 tp10 -126.33 90.12 3.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.489 -0.778 . . . . 15.45 109.561 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -93.19 -108.59 1.88 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.573 -0.822 . . . . 13.46 112.364 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -150.26 98.1 0.18 Allowed Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 121.086 -0.578 . . . . 12.43 112.249 -178.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -107.47 117.2 33.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.446 0.641 . . . . 10.98 110.083 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -113.18 89.92 3.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.545 -0.752 . . . . 11.8 110.948 -174.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -171.13 117.54 0.46 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.937 -0.574 . . . . 7.39 110.328 175.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 88.99 -13.05 64.19 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 5.88 112.273 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 28.4 ttt -86.66 65.68 9.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.747 0.784 . . . . 3.98 109.816 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -97.78 48.98 1.02 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.139 -0.937 . . . . 6.1 109.441 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -145.52 148.17 32.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.309 -0.859 . . . . 3.86 109.795 -172.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -80.18 106.61 5.32 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.804 -0.813 . . . . 3.19 108.804 175.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.45 118.13 5.02 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 121.72 1.613 . . . . 0.97 112.723 -166.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . 0.422 ' O ' HD13 ' A' ' 668' ' ' LEU . 15.2 ptt180 -80.62 -27.48 37.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.131 -0.486 . . . . 3.16 111.506 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . 0.533 ' HB3' ' HB3' ' A' ' 699' ' ' ALA . 7.1 p90 -64.3 -27.41 69.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.535 -0.302 . . . . 0.81 111.747 -175.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 61.0 mtt -73.32 -36.98 66.3 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.801 0.334 . . . . 1.17 110.23 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 52.9 ttp -68.31 -46.75 69.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.721 -0.474 . . . . 1.2 109.721 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.422 HD13 ' O ' ' A' ' 664' ' ' ARG . 9.7 mp -62.98 -36.88 85.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.426 -0.806 . . . . 0.82 110.916 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -78.76 -32.09 46.46 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.688 0.28 . . . . 0.23 110.466 -178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . 0.448 ' O ' ' HG3' ' A' ' 674' ' ' MET . 12.9 tpp180 -65.38 -44.43 87.59 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.678 -0.49 . . . . 3.33 109.678 176.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . 0.418 ' O ' HD23 ' A' ' 675' ' ' LEU . 34.7 tt0 -66.11 -42.58 89.05 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.492 -0.559 . . . . 1.89 109.492 176.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.15 -40.01 73.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 0.23 111.126 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.56 -39.06 91.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.922 -0.581 . . . . 1.76 109.924 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 670' ' ' ARG . 61.0 mtt -66.36 -29.45 69.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.819 -0.628 . . . . 0.79 110.66 176.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 671' ' ' GLU . 4.6 mm? -85.72 -14.66 44.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.769 0.319 . . . . 0.53 110.499 177.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 36.0 t80 -85.02 -61.25 1.82 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.317 -0.401 . . . . 0.82 110.801 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 10.2 t -103.77 0.87 30.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.724 0.297 . . . . 1.45 111.637 -175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 92.19 119.51 2.55 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.325 -0.94 . . . . 1.4 111.522 -177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -123.8 -158.75 10.23 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.547 -0.835 . . . . 2.07 113.021 -175.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -71.22 83.67 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 5.05 111.28 -175.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 88.14 10.7 68.4 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.744 -0.741 . . . . 1.41 112.055 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -112.02 121.02 43.85 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.116 -0.327 . . . . 1.38 110.116 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -78.18 139.13 38.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.058 -0.519 . . . . 2.83 109.638 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -61.74 124.65 21.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.285 0.564 . . . . 1.72 110.946 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -146.74 101.73 3.95 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.735 -0.666 . . . . 1.68 109.553 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 719' ' ' ALA . 62.1 Cg_exo -53.39 -31.42 57.36 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.961 2.441 . . . . 0.42 113.584 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -69.66 -55.18 10.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.554 -0.294 . . . . 2.21 110.385 -176.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -67.42 -34.34 77.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.725 -0.472 . . . . 3.24 109.725 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 17.2 t -55.62 -50.77 69.28 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.683 -0.69 . . . . 1.11 110.326 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.34 -35.63 82.73 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.374 -0.917 . . . . 0.19 112.5 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -65.19 -36.78 85.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.155 0.502 . . . . 1.54 110.487 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 38.1 mt -73.53 -38.3 65.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.258 -0.428 . . . . 1.35 110.687 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -69.32 -34.62 74.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.692 -0.231 . . . . 1.33 111.554 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 21.9 p -69.87 -39.65 76.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.915 0.388 . . . . 0.31 110.173 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -65.27 -42.19 93.46 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.01 -0.541 . . . . 2.13 109.89 175.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -59.72 -40.83 89.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.821 -0.627 . . . . 0.18 110.795 177.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.6 91.64 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.475 0.179 . . . . 0.2 110.901 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -59.18 -46.81 87.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.955 0.407 . . . . 1.84 110.171 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 665' ' ' TYR . . . -70.77 -29.14 65.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.807 -0.633 . . . . 0.21 110.974 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.48 -48.84 37.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.142 -0.481 . . . . 0.16 111.172 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -69.02 -23.23 64.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.024 0.44 . . . . 0.76 110.05 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -69.57 -33.05 72.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.822 -0.626 . . . . 2.58 109.994 174.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -87.6 19.43 3.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.666 -0.697 . . . . 0.45 111.152 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 77.9 mtp 68.07 13.57 9.14 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.744 -0.662 . . . . 2.61 111.564 174.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . 0.509 ' HD3' HD12 ' A' ' 708' ' ' LEU . 55.1 mttm -106.61 85.1 2.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.194 0.521 . . . . 1.59 111.233 -178.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . 0.436 ' CA ' ' HB3' ' A' ' 634' ' ' TRP . . . -63.75 -35.17 91.67 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.43 -0.804 . . . . 0.47 113.495 -178.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . 0.419 ' NE ' ' HA ' ' A' ' 707' ' ' ARG . 5.1 tpm_? -60.24 -46.18 90.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.067 0.433 . . . . 3.9 110.745 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . 0.509 HD12 ' HD3' ' A' ' 705' ' ' LYS . 44.3 mt -65.08 -45.26 85.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 1.02 110.597 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.09 -43.76 82.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.972 -0.558 . . . . 0.21 110.489 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -62.49 -49.91 73.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.485 -0.78 . . . . 1.6 111.052 178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -61.79 -49.76 75.05 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 111.673 0.249 . . . . 1.83 111.673 -178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -60.51 -34.29 73.87 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.895 -0.322 . . . . 0.44 111.266 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -72.18 -37.1 69.38 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.597 -0.52 . . . . 2.95 109.597 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -60.28 -31.38 70.18 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.467 -0.788 . . . . 1.98 109.798 174.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 8.8 tptp -84.71 -31.18 24.2 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.246 -0.888 . . . . 1.67 108.761 -174.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.54 94.82 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.359 -0.837 . . . . 0.25 109.911 175.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 642' ' ' ASN . 78.1 mm-40 -65.48 -43.97 88.58 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.64 -0.709 . . . . 2.16 110.312 177.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -57.85 -43.22 85.74 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.794 0.331 . . . . 2.2 110.935 176.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 686' ' ' PRO . . . -55.07 -49.91 70.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.863 -0.608 . . . . 0.37 110.927 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -76.62 -30.65 56.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.396 -0.366 . . . . 0.47 111.432 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -61.45 -30.34 70.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.988 0.423 . . . . 0.64 111.032 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -64.61 -17.05 63.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.007 -0.542 . . . . 2.38 111.715 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 96.7 mmm -89.44 -11.56 42.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.574 -0.284 . . . . 2.42 111.137 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -123.27 29.0 6.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.648 0.737 . . . . 4.88 110.262 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 . . . . . 0 C--O 1.246 0.898 0 CA-C-N 115.262 -0.881 . . . . 5.52 109.717 -179.555 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.437 ' HA3' ' CB ' ' A' ' 627' ' ' SER . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 112.019 -0.432 . . . . 15.53 112.019 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 29.1 t -158.17 -40.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.793 0.33 . . . . 14.35 110.426 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -99.36 96.49 7.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 13.37 110.878 -178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.557 ' O ' ' HA ' ' A' ' 655' ' ' GLU . 20.2 mmt 58.98 23.93 12.07 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.022 -0.535 . . . . 13.3 111.773 177.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.443 ' HA ' ' HD3' ' A' ' 628' ' ' PRO . 5.8 m -80.91 140.33 50.26 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 116.528 -0.306 . . . . 9.26 110.189 -177.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 627' ' ' SER . 8.9 Cg_exo -73.83 52.5 2.58 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.05 2.5 . . . . 7.14 112.946 -179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . 0.415 ' OD1' ' HB2' ' A' ' 627' ' ' SER . 9.3 m-20 -66.75 -32.01 73.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 7.07 110.47 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -82.98 68.44 9.48 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.103 -0.703 . . . . 8.95 109.103 177.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . 0.542 ' HA ' ' NE1' ' A' ' 634' ' ' TRP . 3.6 p -76.84 53.96 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.364 -0.834 . . . . 4.38 111.298 -176.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -133.57 -55.87 0.89 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.3 -0.863 . . . . 4.67 110.218 -177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.56 -58.97 6.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.828 -0.624 . . . . 5.22 111.375 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . 0.542 ' NE1' ' HA ' ' A' ' 631' ' ' CYS . 67.8 p-90 -68.03 -22.98 64.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.082 0.468 . . . . 3.28 110.422 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -67.08 -48.97 66.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.753 -0.658 . . . . 3.12 109.384 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.481 ' O ' ' HB3' ' A' ' 639' ' ' HIS . 20.3 tp10 -71.01 -37.0 72.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.602 . . . . 5.37 109.939 177.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.13 87.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.91 -0.586 . . . . 2.89 110.935 177.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 710' ' ' ASN . 41.3 tp -64.06 -33.45 75.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.889 -0.596 . . . . 2.25 110.765 177.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . 0.481 ' HB3' ' O ' ' A' ' 636' ' ' GLU . 10.7 t-160 -62.71 -23.02 66.95 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.494 -0.776 . . . . 5.62 111.15 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -113.22 9.83 18.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.759 0.314 . . . . 7.07 111.224 179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -81.14 66.23 6.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.634 0.73 . . . . 5.5 110.193 -178.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -100.45 60.31 1.01 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.46 -0.791 . . . . 4.9 109.704 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 46.0 p -99.31 -36.69 9.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.853 -0.612 . . . . 4.46 111.552 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . 71.09 -58.93 0.56 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.73 0.812 . . . . 5.98 111.801 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 83.6 mt -94.58 -51.02 4.93 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 111.451 0.167 . . . . 8.01 111.451 -174.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.5 107.57 1.41 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.969 0.414 . . . . 8.8 111.08 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -100.37 147.82 25.4 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.93 -0.577 . . . . 12.08 110.013 177.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 16.0 m -84.99 73.49 10.68 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.498 0.666 . . . . 10.68 110.038 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -109.8 64.07 0.61 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.489 -0.778 . . . . 13.39 109.751 -177.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 7.0 p -127.78 68.87 1.32 Allowed 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.323 -0.853 . . . . 12.15 109.127 175.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . 0.419 ' CG ' HH12 ' A' ' 707' ' ' ARG . 17.0 t70 -140.6 145.91 37.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.879 -0.601 . . . . 13.19 112.015 -169.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -128.47 42.04 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.809 -0.632 . . . . 15.45 110.138 176.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 97.06 95.08 1.88 Allowed Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.131 -0.788 . . . . 13.46 111.131 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -117.29 -102.94 2.24 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.724 -0.75 . . . . 12.43 112.79 -176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' A' ' 626' ' ' MET . 1.6 mp0 -54.28 115.65 2.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.976 0.417 . . . . 10.98 112.036 -177.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -112.12 80.8 1.37 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.995 -0.742 . . . . 11.8 108.995 171.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -102.35 143.85 31.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.496 -0.774 . . . . 7.39 111.254 -175.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -122.8 75.24 0.37 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.165 -0.54 . . . . 5.88 111.85 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.73 144.59 56.24 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.978 0.418 . . . . 3.98 110.619 178.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -98.31 49.74 1.0 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.555 0.693 . . . . 6.1 110.505 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -147.36 131.58 17.42 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.984 -1.007 . . . . 3.86 109.616 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.13 117.79 43.13 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 107.871 -1.159 . . . . 3.19 107.871 172.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -61.04 116.17 3.19 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 121.37 1.38 . . . . 0.97 113.083 -162.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -82.43 -31.72 29.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.231 -0.895 . . . . 3.16 110.535 173.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -65.11 -28.36 69.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.681 -0.69 . . . . 0.81 111.673 -174.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 68.4 mtt -73.26 -36.02 66.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.025 0.441 . . . . 1.17 109.954 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -71.38 -45.97 61.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.93 -0.767 . . . . 1.2 108.93 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.47 -39.12 82.67 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.829 -0.623 . . . . 0.82 110.733 176.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -74.24 -34.97 63.82 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 120.887 0.375 . . . . 0.23 110.336 -178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -65.17 -41.89 94.22 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.179 -0.464 . . . . 3.33 109.864 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . 0.458 ' O ' HD23 ' A' ' 675' ' ' LEU . 37.4 tt0 -64.99 -43.94 90.92 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.953 -0.758 . . . . 1.89 108.953 177.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -54.87 -43.74 73.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.23 111.319 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.02 -39.35 87.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 1.76 110.536 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 72.4 mtm -71.34 -23.65 61.96 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-O 120.78 0.324 . . . . 0.79 110.572 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.5 mm? -82.78 -27.5 30.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.568 -0.287 . . . . 0.53 110.629 176.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . 0.454 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 32.9 t80 -75.62 -55.03 6.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.709 0.29 . . . . 0.82 111.009 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 77.9 p -87.83 -21.24 25.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.07 0.462 . . . . 1.45 111.229 -176.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 93.49 167.74 38.3 Favored Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 110.525 -1.03 . . . . 1.4 110.525 -173.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -169.41 -170.07 33.49 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.463 -0.875 . . . . 2.07 111.934 -178.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -80.47 73.98 7.36 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.115 0.483 . . . . 5.05 110.225 -177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 126.37 -17.49 6.57 Favored Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 111.452 -0.659 . . . . 1.41 111.452 -178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.75 128.34 49.53 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.687 -0.486 . . . . 1.38 109.687 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -91.6 145.82 24.29 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.227 -0.442 . . . . 2.83 110.061 179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 20.7 ptmt -72.52 105.33 4.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.4 0.619 . . . . 1.72 111.369 -178.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -128.95 92.98 38.2 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.649 -0.705 . . . . 1.68 110.254 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -52.3 -31.47 46.95 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.909 2.406 . . . . 0.42 113.286 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -55.1 19.19 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 109.523 -0.547 . . . . 2.21 109.523 179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 28.6 ttm180 -67.77 -29.4 68.59 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.004 -0.543 . . . . 3.24 109.832 -177.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . 0.454 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 23.1 t -56.0 -51.51 67.51 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.065 -0.516 . . . . 1.11 110.302 175.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.29 -31.74 68.75 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.053 -1.07 . . . . 0.19 111.73 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.577 ' O ' ' HG2' ' A' ' 695' ' ' GLN . 18.1 t70 -60.15 -49.15 78.79 Favored 'General case' 0 N--CA 1.462 0.152 0 N-CA-C 109.426 -0.583 . . . . 1.54 109.426 176.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 24.1 mt -68.06 -35.94 79.04 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.659 -0.701 . . . . 1.35 111.418 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -68.62 -35.62 77.54 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.707 -0.397 . . . . 1.33 111.238 178.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 4.8 p -72.14 -38.73 69.16 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.389 -0.525 . . . . 0.31 110.302 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 691' ' ' ASP . 17.0 mm100 -63.77 -41.9 97.89 Favored 'General case' 0 C--O 1.238 0.457 0 N-CA-C 109.443 -0.577 . . . . 2.13 109.443 175.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -62.88 -40.08 96.42 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.587 -0.733 . . . . 0.18 110.778 176.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.9 -36.16 82.64 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.624 0.25 . . . . 0.2 110.342 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -61.69 -51.93 66.4 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.91 -0.404 . . . . 1.84 109.91 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -63.75 -27.81 69.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.21 110.896 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.36 -51.08 18.69 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.178 -0.464 . . . . 0.16 110.733 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -66.71 -33.02 74.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.614 -0.266 . . . . 0.76 110.886 -177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -73.89 -26.25 60.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 2.58 110.552 177.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -88.7 17.2 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.45 110.93 176.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 74.4 mtp 64.64 27.47 13.22 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.861 -0.609 . . . . 2.61 111.576 177.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . 0.439 ' HB3' ' HB2' ' A' ' 708' ' ' LEU . 71.5 mmtt -106.33 74.08 1.01 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.736 0.303 . . . . 1.59 110.473 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . 0.478 ' HA2' ' CZ3' ' A' ' 634' ' ' TRP . . . -52.79 -50.95 47.72 Favored Glycine 0 CA--C 1.519 0.291 0 CA-C-N 115.718 -0.674 . . . . 0.47 113.627 -178.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . 0.426 ' HB2' ' OE1' ' A' ' 655' ' ' GLU . 18.7 ttm180 -59.35 -45.1 92.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.855 0.359 . . . . 3.9 111.305 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 705' ' ' LYS . 4.0 mm? -61.54 -47.32 86.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.5 . . . . 1.02 110.097 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.19 88.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.517 -0.765 . . . . 0.21 110.632 177.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . 0.448 ' HA ' HD13 ' A' ' 638' ' ' LEU . 3.5 t-20 -59.71 -53.69 55.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.494 . . . . 1.6 109.855 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -55.17 -58.2 8.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.354 -0.839 . . . . 1.83 111.063 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 19.6 m-30 -65.37 -31.53 72.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.141 0.423 . . . . 0.44 112.141 -174.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 29.5 t80 -70.27 -45.61 66.04 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 109.171 -0.677 . . . . 2.95 109.171 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -66.3 -24.46 66.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.309 -0.86 . . . . 1.98 110.345 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -81.1 -32.23 33.95 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.696 -0.853 . . . . 1.67 108.696 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.9 -49.39 72.86 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.866 -0.606 . . . . 0.25 109.469 171.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -54.23 -46.41 72.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.168 -0.924 . . . . 2.16 110.213 175.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -62.6 -44.71 95.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.977 -0.556 . . . . 2.2 110.809 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.35 -45.89 83.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.37 111.076 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . 0.448 ' HA ' ' HB2' ' A' ' 723' ' ' MET . 33.7 m0 -76.5 -25.5 54.28 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.78 -0.368 . . . . 0.47 111.775 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -72.72 -29.43 63.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.524 0.678 . . . . 0.64 110.303 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -98.1 15.02 25.49 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.811 -1.086 . . . . 2.38 110.738 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . 0.448 ' HB2' ' HA ' ' A' ' 720' ' ' TRP . 14.3 ttt -66.91 62.26 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.424 0.631 . . . . 2.42 112.212 -174.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -152.57 31.63 0.51 Allowed 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.435 -0.95 . . . . 4.88 108.435 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 114.296 -1.32 . . . . 5.52 110.306 -176.683 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.629 ' HA2' ' O ' ' A' ' 656' ' ' TYR . . . . . . . . 0 N--CA 1.483 1.82 0 CA-C-O 120.259 -0.19 . . . . 15.53 112.814 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 16.4 m -64.86 -40.05 94.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.098 0.475 . . . . 14.35 110.264 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . 0.426 ' O ' ' HB2' ' A' ' 626' ' ' MET . 87.0 m-70 -119.82 96.37 5.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.026 -0.533 . . . . 13.37 109.668 175.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.434 ' O ' ' HD3' ' A' ' 628' ' ' PRO . 22.6 mmt 70.74 130.76 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 O-C-N 124.114 0.884 . . . . 13.3 111.183 -176.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 3.3 p -117.41 82.02 14.6 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.576 -0.738 . . . . 9.26 110.352 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 626' ' ' MET . 8.1 Cg_exo -71.87 76.39 2.03 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 123.243 2.629 . . . . 7.14 112.188 -178.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -67.97 -26.32 65.87 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.016 -0.538 . . . . 7.07 109.741 177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' A' ' 630' ' ' ARG . 28.2 ttt180 -96.41 50.63 1.15 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.797 0.808 . . . . 8.95 109.571 175.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 2.5 p -82.97 61.05 5.77 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.454 0.645 . . . . 4.38 109.774 175.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -134.83 -7.95 2.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.39 -0.823 . . . . 4.67 111.589 -174.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -75.79 -24.61 55.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.76 0.314 . . . . 5.22 110.684 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . 0.414 ' CH2' ' HB2' ' A' ' 701' ' ' MET . 67.8 p-90 -66.14 -26.13 67.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.264 -0.425 . . . . 3.28 110.541 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.07 -45.3 89.37 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 109.707 -0.479 . . . . 3.12 109.707 176.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -67.3 -44.08 80.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.561 -0.745 . . . . 5.37 110.184 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.82 98.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.783 -0.644 . . . . 2.89 111.023 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.74 -21.07 59.56 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.051 -0.522 . . . . 2.25 110.93 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -71.57 -40.29 70.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.931 0.396 . . . . 5.62 110.568 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -92.87 12.0 25.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.992 -0.549 . . . . 7.07 110.996 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -69.28 70.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.69 -0.686 . . . . 5.5 111.215 -176.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -100.85 58.67 0.91 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.478 0.656 . . . . 4.9 109.801 177.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 6.8 t -164.61 139.64 5.55 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.315 -0.857 . . . . 4.46 110.166 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -87.82 -12.62 44.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.019 0.437 . . . . 5.98 110.642 177.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 90.6 mt -124.49 112.6 17.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.107 -0.497 . . . . 8.01 110.893 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -141.66 133.83 27.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.812 -0.631 . . . . 8.8 109.556 175.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 55.4 ttp -84.18 92.54 7.96 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.907 -0.405 . . . . 12.08 109.907 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -74.92 70.45 1.97 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.169 -0.468 . . . . 10.68 110.978 -179.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -103.58 76.28 1.39 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.206 0.527 . . . . 13.39 110.264 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 73.4 m -146.46 23.02 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.941 -0.572 . . . . 12.15 110.62 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -167.5 129.28 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.363 -0.381 . . . . 13.19 111.481 -177.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -108.48 35.7 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.015 0.435 . . . . 15.45 110.267 177.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 87.4 41.9 6.36 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.89 -0.671 . . . . 13.46 112.275 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -105.69 -136.59 8.58 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.592 -0.603 . . . . 12.43 111.592 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 50.27 53.38 12.99 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.399 0.619 . . . . 10.98 110.352 -175.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . 0.629 ' O ' ' HA2' ' A' ' 623' ' ' GLY . 67.9 t80 -94.0 75.01 4.13 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.27 0.557 . . . . 11.8 110.709 -175.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . 0.413 ' HB3' ' SD ' ' A' ' 704' ' ' MET . 13.0 t70 -135.44 111.0 9.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.639 -0.71 . . . . 7.39 109.578 175.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 73.85 25.56 71.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.686 -0.769 . . . . 5.88 111.926 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 27.5 ttt -79.65 104.19 10.08 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.185 0.517 . . . . 3.98 110.282 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -53.52 139.15 32.1 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.9 -1.046 . . . . 6.1 111.119 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -65.32 -28.79 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.167 -0.924 . . . . 3.86 110.694 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -112.5 90.11 13.99 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.766 -0.652 . . . . 3.19 109.259 170.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -76.01 121.64 6.3 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.077 1.851 . . . . 0.97 112.004 -176.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . 0.443 ' O ' HD13 ' A' ' 668' ' ' LEU . 81.8 mtp180 -69.0 -35.64 76.9 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.78 -0.645 . . . . 3.16 110.983 -177.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -62.57 -29.69 70.77 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.984 0.364 . . . . 0.81 111.984 -174.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 61.2 mtt -76.6 -40.02 50.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.768 0.318 . . . . 1.17 110.632 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 14.8 tmm? -69.68 -42.67 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.956 -0.757 . . . . 1.2 108.956 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.474 HD23 ' HG3' ' A' ' 695' ' ' GLN . 7.1 mp -62.4 -39.56 93.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.234 -0.894 . . . . 0.82 110.78 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.18 -35.68 61.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 120.834 -0.347 . . . . 0.23 110.578 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 47.6 ttp85 -67.16 -38.07 84.85 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.508 -0.553 . . . . 3.33 109.508 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -65.72 -45.48 82.54 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.05 -0.722 . . . . 1.89 109.05 176.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.406 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -57.0 -39.15 74.15 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.804 -0.634 . . . . 0.23 111.064 175.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.13 -41.69 97.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 1.76 110.488 177.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 75.8 mtm -70.34 -24.53 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.79 110.429 178.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.575 HD11 ' NH1' ' A' ' 688' ' ' ARG . 3.5 mm? -80.21 -30.19 38.63 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.856 0.36 . . . . 0.53 110.842 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . 0.47 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 24.7 t80 -81.36 -51.01 8.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.461 -0.336 . . . . 0.82 111.473 -178.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 41.4 p -93.22 -16.35 24.9 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.38 0.511 . . . . 1.45 112.38 -175.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 99.21 124.91 5.28 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.547 -0.835 . . . . 1.4 111.362 -176.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -134.5 178.08 18.72 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.543 -0.837 . . . . 2.07 112.481 -176.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 8.6 p90 -67.76 92.94 0.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.278 0.561 . . . . 5.05 111.121 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 96.35 -0.2 61.63 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.881 -0.676 . . . . 1.41 111.782 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -112.12 125.97 54.68 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.673 -0.491 . . . . 1.38 109.673 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . 0.45 ' O ' HD13 ' A' ' 675' ' ' LEU . 3.1 pm0 -80.08 169.44 17.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.083 0.468 . . . . 2.83 110.355 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 88.1 tttt -96.42 103.79 15.72 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.858 -0.61 . . . . 1.72 109.799 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -136.85 98.91 10.43 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.049 -0.523 . . . . 1.68 110.355 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.7 -31.76 62.2 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.918 2.412 . . . . 0.42 113.066 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -66.73 -53.92 28.32 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 110.052 -0.351 . . . . 2.21 110.052 -178.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . 0.575 ' NH1' HD11 ' A' ' 675' ' ' LEU . 25.3 ttm180 -68.48 -33.91 75.0 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.573 -0.528 . . . . 3.24 109.573 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . 0.47 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 22.0 t -54.78 -53.14 59.05 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.08 -0.509 . . . . 1.11 110.262 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.05 -31.27 72.16 Favored Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.196 -1.002 . . . . 0.19 111.839 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.35 -45.29 93.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.196 0.522 . . . . 1.54 110.048 176.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 60.1 mt -71.4 -34.24 70.19 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.725 -0.671 . . . . 1.35 110.716 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . 0.406 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 9.2 m-85 -69.18 -37.31 78.09 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.978 -0.289 . . . . 1.33 111.393 176.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 8.3 p -73.37 -36.07 66.04 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.726 -0.39 . . . . 0.31 110.355 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . 0.474 ' HG3' HD23 ' A' ' 668' ' ' LEU . 8.2 tp-100 -65.38 -41.49 93.7 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.178 -0.675 . . . . 2.13 109.178 174.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.16 96.39 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.643 -0.708 . . . . 0.18 110.814 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.04 -35.74 80.54 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.863 0.363 . . . . 0.2 110.142 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -62.06 -47.89 82.69 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.972 -0.558 . . . . 1.84 109.807 175.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.35 -27.25 66.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.018 0.437 . . . . 0.21 110.878 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.23 -49.36 35.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.161 -0.472 . . . . 0.16 110.723 178.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . 0.414 ' HB2' ' CH2' ' A' ' 634' ' ' TRP . 26.1 ptt? -68.22 -28.55 67.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.995 0.426 . . . . 0.76 109.946 179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -65.55 -40.69 93.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.86 -0.609 . . . . 2.58 110.193 175.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -90.28 17.85 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.689 -0.687 . . . . 0.45 111.891 -176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . 0.413 ' SD ' ' HB3' ' A' ' 657' ' ' ASP . 50.8 ttm 62.78 49.57 3.66 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.406 0.622 . . . . 2.61 110.777 176.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -124.94 85.07 2.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.198 -0.455 . . . . 1.59 110.066 176.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -60.54 -52.17 54.22 Favored Glycine 0 CA--C 1.518 0.276 0 CA-C-N 115.936 -0.575 . . . . 0.47 113.288 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 35.5 ttp85 -61.85 -39.06 90.54 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.986 0.393 . . . . 3.9 111.056 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.7 -49.07 74.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.456 -0.338 . . . . 1.02 110.142 179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.74 -48.37 81.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.875 -0.602 . . . . 0.21 110.769 178.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -57.36 -52.65 64.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.972 -0.558 . . . . 1.6 110.329 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -55.14 -55.42 31.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.881 0.372 . . . . 1.83 111.301 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -62.5 -32.08 72.93 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.07 0.396 . . . . 0.44 112.07 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -72.57 -37.81 68.08 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.218 -0.593 . . . . 2.95 109.813 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -66.38 -27.63 68.01 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.657 0.741 . . . . 1.98 109.847 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -83.5 -32.13 26.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.11 -0.95 . . . . 1.67 109.108 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.32 -48.18 76.59 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 109.573 -0.529 . . . . 0.25 109.573 171.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -51.41 -52.61 44.53 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.219 -0.901 . . . . 2.16 110.141 173.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.34 -42.99 96.84 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 116.403 -0.362 . . . . 2.2 111.462 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.76 -49.62 74.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.697 0.284 . . . . 0.37 111.064 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -76.64 -31.99 57.7 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.312 -0.404 . . . . 0.47 111.881 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -70.35 -44.84 67.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.968 0.413 . . . . 0.64 111.159 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -89.68 -57.79 2.75 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.148 -0.478 . . . . 2.38 110.811 -174.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 68.1 mtm 63.55 -63.9 0.13 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.636 0.774 . . . . 2.42 112.085 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.99 77.08 4.5 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.394 0.616 . . . . 4.88 111.458 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.825 -0.607 . . . . 5.52 109.575 176.245 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.8 -0.52 . . . . 15.53 111.8 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 22.6 m -73.64 97.54 2.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.098 0.475 . . . . 14.35 110.637 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 30.6 p80 -130.81 150.29 52.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.007 -0.542 . . . . 13.37 109.715 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.486 ' O ' ' HA ' ' A' ' 655' ' ' GLU . 3.3 mmt -65.82 146.82 54.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.909 0.385 . . . . 13.3 110.079 176.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 1.6 p -135.48 156.01 78.07 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.887 -0.597 . . . . 9.26 109.69 179.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -75.05 53.49 3.37 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.678 2.252 . . . . 7.14 112.406 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -67.46 -35.42 79.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.318 0.58 . . . . 7.07 109.889 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -90.43 43.19 1.13 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.716 -0.674 . . . . 8.95 110.498 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . 0.556 ' HB2' ' SD ' ' A' ' 704' ' ' MET . 23.0 p -79.34 47.4 0.8 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.092 0.473 . . . . 4.38 110.829 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . 0.42 ' HA ' HD13 ' A' ' 635' ' ' LEU . 3.7 pt20 -131.45 -33.51 1.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.993 -0.549 . . . . 4.67 111.708 -177.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -62.07 -28.25 69.48 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 120.598 0.237 . . . . 5.22 111.452 -177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . 0.58 ' CD2' ' HA3' ' A' ' 706' ' ' GLY . 62.5 p-90 -70.33 -26.44 63.76 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.67 -0.412 . . . . 3.28 111.039 -176.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 632' ' ' GLN . 5.8 mp -70.35 -41.12 73.57 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.589 -0.522 . . . . 3.12 109.589 176.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.31 -45.52 80.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.294 -0.866 . . . . 5.37 109.916 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.43 89.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.453 -0.794 . . . . 2.89 110.824 177.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 29.2 tp -63.88 -33.08 74.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.513 -0.767 . . . . 2.25 110.64 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -63.87 -45.19 90.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.03 -0.532 . . . . 5.62 111.163 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -83.32 -18.59 38.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.65 -0.25 . . . . 7.07 111.39 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 51.21 65.48 1.47 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.113 0.482 . . . . 5.5 111.123 -176.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -80.65 53.35 1.86 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.466 0.651 . . . . 4.9 109.782 177.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . 0.51 ' HB ' ' HB2' ' A' ' 717' ' ' GLU . 17.4 p -65.57 131.06 45.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.5 -0.773 . . . . 4.46 111.768 -174.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . 0.424 ' H ' ' HA ' ' A' ' 714' ' ' GLN . . . 72.66 -27.8 0.19 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.982 0.913 . . . . 5.98 112.281 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . 0.401 ' H ' ' C ' ' A' ' 643' ' ' THR . 90.8 mt -86.89 -31.6 20.65 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.532 -0.304 . . . . 8.01 111.086 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.49 ' HG2' HD21 ' A' ' 710' ' ' ASN . 9.7 tp10 -71.77 151.04 43.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.027 0.442 . . . . 8.8 110.271 178.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 38.9 tpp -112.84 95.95 5.69 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.803 -0.635 . . . . 12.08 110.126 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.8 p -83.99 70.23 10.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.233 0.54 . . . . 10.68 111.09 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -92.6 67.75 4.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.684 -0.689 . . . . 13.39 109.568 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . 0.408 ' CB ' ' HD2' ' A' ' 707' ' ' ARG . 35.7 m -135.65 132.43 37.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.506 -0.77 . . . . 12.15 110.612 -176.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -82.14 152.76 26.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.861 -0.422 . . . . 13.19 109.861 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . 0.437 ' HG3' HD21 ' A' ' 708' ' ' LEU . 80.0 mm-40 -108.67 19.55 19.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.108 0.48 . . . . 15.45 110.303 177.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -93.16 -55.57 1.58 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.724 -0.75 . . . . 13.46 112.503 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -59.34 -39.54 94.86 Favored Glycine 0 C--N 1.328 0.118 0 C-N-CA 121.275 -0.488 . . . . 12.43 112.946 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.491 ' CD ' HH22 ' A' ' 707' ' ' ARG . 35.5 tt0 -75.87 86.58 2.84 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.246 0.546 . . . . 10.98 110.226 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -79.97 81.79 6.17 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.641 -0.709 . . . . 11.8 109.355 177.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -83.9 151.63 24.99 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.342 -0.844 . . . . 7.39 110.669 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -81.48 47.81 3.7 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.566 -0.614 . . . . 5.88 111.566 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -72.85 164.55 26.44 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.373 -0.414 . . . . 3.98 111.344 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -57.58 125.92 25.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.571 -0.74 . . . . 6.1 110.479 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.39 -21.72 66.73 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.205 -0.452 . . . . 3.86 110.962 -173.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -114.43 88.1 15.08 Favored Pre-proline 0 C--N 1.323 -0.55 0 N-CA-C 109.443 -0.577 . . . . 3.19 109.443 169.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -79.94 120.62 4.27 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.012 1.808 . . . . 0.97 112.073 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . 0.466 ' O ' HD13 ' A' ' 668' ' ' LEU . 18.7 ptt180 -79.13 -27.53 42.84 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.361 -0.535 . . . . 3.16 111.086 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -63.32 -35.14 79.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.601 0.239 . . . . 0.81 111.371 -178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 55.7 mtt -71.76 -33.18 68.43 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.931 -0.308 . . . . 1.17 110.428 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . 0.455 ' HG3' ' NH2' ' A' ' 670' ' ' ARG . 56.7 ttp -70.56 -45.06 66.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.045 0.45 . . . . 1.2 109.922 177.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.466 HD13 ' O ' ' A' ' 664' ' ' ARG . 10.9 mp -62.7 -36.16 82.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.858 -0.61 . . . . 0.82 110.552 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.98 -34.42 59.78 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.054 -0.35 . . . . 0.23 110.054 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . 0.455 ' NH2' ' HG3' ' A' ' 667' ' ' MET . 50.9 ttp180 -63.68 -45.32 90.64 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.96 -0.564 . . . . 3.33 109.77 175.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -62.51 -44.78 95.52 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.478 -0.783 . . . . 1.89 109.008 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.2 91.02 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.333 -0.848 . . . . 0.23 111.46 177.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -64.91 -40.03 94.45 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.982 0.42 . . . . 1.76 110.64 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 87.8 mtp -72.5 -28.45 62.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.139 -0.482 . . . . 0.79 110.643 179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.657 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 29.6 mt -84.73 -17.14 39.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.628 -0.26 . . . . 0.53 111.594 178.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -76.03 -43.15 45.4 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.696 -0.402 . . . . 0.82 110.521 178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 37.9 p -90.92 -33.21 15.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.929 0.395 . . . . 1.45 110.93 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 82.22 -166.32 46.01 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.849 -0.614 . . . . 1.4 112.133 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 94.85 153.26 30.12 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 121.082 -0.58 . . . . 2.07 112.732 177.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 54.79 43.23 30.38 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.92 0.488 . . . . 5.05 111.972 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 103.07 -21.13 40.99 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.792 -0.718 . . . . 1.41 112.651 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -91.24 129.62 37.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.954 0.406 . . . . 1.38 110.487 -177.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -89.49 118.71 29.34 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.457 -0.572 . . . . 2.83 109.457 176.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . 0.657 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 19.0 ptmt -67.66 118.83 11.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.552 0.691 . . . . 1.72 110.429 -177.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -143.36 98.84 5.41 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 115.42 -0.809 . . . . 1.68 110.302 -176.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.95 -32.88 59.58 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.245 2.63 . . . . 0.42 113.547 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -68.66 -51.14 45.21 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.746 -0.465 . . . . 2.21 109.746 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -63.51 -37.68 88.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.719 -0.673 . . . . 3.24 109.234 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 18.3 m -56.77 -50.25 72.86 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.904 -1.044 . . . . 1.11 110.883 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.66 -33.88 77.13 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.278 -0.963 . . . . 0.19 112.122 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 3.7 m-20 -60.96 -46.8 89.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.056 0.455 . . . . 1.54 110.013 176.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 41.5 mt -69.43 -37.0 77.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.272 -0.422 . . . . 1.35 111.28 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -65.0 -38.48 91.11 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.954 -0.298 . . . . 1.33 111.221 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 12.7 p -72.43 -38.95 68.21 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.717 -0.393 . . . . 0.31 110.479 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 79.2 mt-30 -63.34 -43.37 97.91 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.296 0.57 . . . . 2.13 109.515 175.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.18 95.0 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.387 -0.824 . . . . 0.18 110.823 177.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.47 93.53 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.873 0.368 . . . . 0.2 110.7 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -60.53 -45.57 93.37 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.873 -0.603 . . . . 1.84 109.781 177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.15 69.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.164 -0.471 . . . . 0.21 111.042 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -69.53 -48.25 61.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.999 -0.546 . . . . 0.16 110.785 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . 0.457 ' HB3' ' CB ' ' A' ' 709' ' ' ALA . 25.9 ptt? -72.08 -25.14 61.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.342 -0.39 . . . . 0.76 110.686 -179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.59 -29.31 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.171 0.51 . . . . 2.58 109.878 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -90.45 20.24 4.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.918 -0.583 . . . . 0.45 111.055 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . 0.556 ' SD ' ' HB2' ' A' ' 631' ' ' CYS . 47.5 tpp 69.47 -2.84 1.77 Allowed 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.521 0.677 . . . . 2.61 111.321 177.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -87.1 53.24 2.76 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.457 -0.571 . . . . 1.59 109.457 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . 0.58 ' HA3' ' CD2' ' A' ' 634' ' ' TRP . . . -60.7 -24.7 62.54 Favored Glycine 0 C--O 1.226 -0.349 0 CA-C-N 115.483 -0.781 . . . . 0.47 113.567 -176.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . 0.491 HH22 ' CD ' ' A' ' 655' ' ' GLU . 41.4 ttp180 -62.63 -45.45 92.79 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.721 -0.474 . . . . 3.9 109.721 175.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . 0.437 HD21 ' HG3' ' A' ' 652' ' ' GLU . 19.8 mt -60.36 -44.12 95.87 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 115.753 -0.658 . . . . 1.02 109.839 173.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 701' ' ' MET . . . -55.45 -54.09 48.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.341 -0.845 . . . . 0.21 111.175 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . 0.49 HD21 ' HG2' ' A' ' 646' ' ' GLU . 60.4 t30 -57.3 -43.81 83.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 1.6 110.536 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -57.73 -52.76 64.13 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-O 120.681 0.277 . . . . 1.83 111.197 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -61.16 -30.54 70.46 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.793 0.294 . . . . 0.44 111.793 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.51 -41.27 76.27 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.28 0.562 . . . . 2.95 109.864 173.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . 0.424 ' HA ' ' H ' ' A' ' 644' ' ' ALA . 1.0 OUTLIER -62.28 -31.05 71.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.445 -0.798 . . . . 1.98 109.378 176.2 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -82.32 -37.27 26.01 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.229 -0.896 . . . . 1.67 108.83 -176.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -61.63 -45.44 94.05 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.154 -0.475 . . . . 0.25 110.195 175.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . 0.51 ' HB2' ' HB ' ' A' ' 643' ' ' THR . 8.0 tp10 -63.26 -42.04 99.12 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.759 -0.655 . . . . 2.16 109.61 178.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.4 -43.79 92.91 Favored 'General case' 0 C--N 1.335 -0.053 0 CA-C-N 116.199 -0.455 . . . . 2.2 110.743 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.08 -51.27 66.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.37 110.925 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 24.2 m0 -73.76 -25.97 60.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 0.47 112.044 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -74.62 -41.93 59.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.753 0.311 . . . . 0.64 111.527 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -85.24 -57.55 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.246 -0.434 . . . . 2.38 110.531 -176.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 71.2 mtm 46.85 35.5 3.25 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.337 0.398 . . . . 2.42 112.035 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -169.21 77.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.373 0.606 . . . . 4.88 110.567 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--O 1.246 0.872 0 N-CA-C 108.492 -0.929 . . . . 5.52 108.492 176.156 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.683 -0.567 . . . . 15.53 111.683 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' A' ' 656' ' ' TYR . 7.2 p -82.89 65.58 8.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.33 0.586 . . . . 14.35 111.157 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 34.4 t-80 -80.61 -12.68 59.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.734 -0.666 . . . . 13.37 110.237 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.572 ' HB2' ' H ' ' A' ' 656' ' ' TYR . 83.9 mmm -127.79 73.03 1.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.996 -0.547 . . . . 13.3 110.525 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 52.1 p -71.22 138.5 84.4 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.862 -0.608 . . . . 9.26 109.483 176.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . 0.429 ' HG3' ' HB3' ' A' ' 704' ' ' MET . 67.1 Cg_endo -73.26 60.47 3.98 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.119 2.546 . . . . 7.14 112.48 -178.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -70.85 -32.53 69.58 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.836 -0.62 . . . . 7.07 109.602 177.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -82.76 43.42 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.465 -0.789 . . . . 8.95 110.21 174.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 4.2 p -60.21 -24.19 64.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.924 -0.58 . . . . 4.38 111.352 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -55.04 -27.75 46.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.463 -0.335 . . . . 4.67 111.401 177.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.31 -45.13 92.77 Favored 'General case' 0 C--O 1.223 -0.302 0 N-CA-C 112.851 0.686 . . . . 5.22 112.851 -174.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . 0.42 ' HB3' ' CA ' ' A' ' 706' ' ' GLY . 54.4 p-90 -70.11 -29.38 66.32 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 119.683 -0.807 . . . . 3.28 111.535 -172.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.402 ' H ' HD12 ' A' ' 635' ' ' LEU . 6.2 mp -60.3 -47.05 87.7 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.412 -0.588 . . . . 3.12 109.412 174.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -73.42 -41.4 63.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.326 -0.852 . . . . 5.37 110.758 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . 0.593 ' O ' ' HB2' ' A' ' 641' ' ' TYR . . . -58.69 -43.87 90.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.065 -0.516 . . . . 2.89 111.222 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 9.5 mp -77.84 -11.37 59.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.791 0.329 . . . . 2.25 111.252 178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -94.26 -39.54 10.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.576 -0.284 . . . . 5.62 111.276 -176.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -101.5 2.88 39.66 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.113 0.412 . . . . 7.07 112.113 -174.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . 0.593 ' HB2' ' O ' ' A' ' 637' ' ' ALA . 4.4 t80 -87.19 67.69 9.7 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.265 0.555 . . . . 5.5 110.126 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -93.2 -11.28 33.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.785 -0.643 . . . . 4.9 109.953 176.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.1 t -115.52 125.77 53.44 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.559 -0.746 . . . . 4.46 109.86 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -63.83 -23.05 67.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 5.98 111.704 -175.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.55 12.91 25.78 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.251 -0.431 . . . . 8.01 112.109 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.575 ' HB3' ' CE2' ' A' ' 641' ' ' TYR . 0.1 OUTLIER -60.55 128.22 35.55 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.408 -0.59 . . . . 8.8 109.408 177.521 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 64.2 mtt -91.74 63.61 4.67 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.231 0.538 . . . . 12.08 110.387 -175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.73 78.03 9.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.717 -0.674 . . . . 10.68 110.324 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -88.63 74.22 8.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.259 0.552 . . . . 13.39 110.067 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 5.1 p -86.77 50.26 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.383 0.611 . . . . 12.15 110.748 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -107.25 122.53 46.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.922 -0.581 . . . . 13.19 111.386 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -126.46 42.37 3.32 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.342 -0.614 . . . . 15.45 109.342 175.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 92.46 43.92 4.15 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.573 -0.739 . . . . 13.46 111.772 -176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 78.79 -175.44 54.98 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 121.032 -0.604 . . . . 12.43 112.413 -178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -133.02 69.66 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.759 0.79 . . . . 10.98 109.484 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . 0.572 ' H ' ' HB2' ' A' ' 626' ' ' MET . 87.9 m-85 -85.01 106.47 16.53 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.098 -0.955 . . . . 11.8 110.9 -177.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -144.96 136.53 25.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.049 -0.523 . . . . 7.39 110.335 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -99.41 68.15 0.58 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.049 -0.596 . . . . 5.88 112.363 -176.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.97 170.85 7.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.995 0.426 . . . . 3.98 111.213 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 661' ' ' ASP . 44.6 mt-30 -77.62 149.26 34.78 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.917 -0.583 . . . . 6.1 110.215 179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 660' ' ' GLN . 14.9 m-20 72.31 146.81 0.08 Allowed 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.874 0.734 . . . . 3.86 111.2 -179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -65.07 144.59 99.09 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.692 -0.686 . . . . 3.19 109.188 176.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -69.76 113.53 3.4 Favored 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 120.455 0.77 . . . . 0.97 111.224 -176.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -85.46 -21.89 28.5 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.712 -0.676 . . . . 3.16 111.461 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -63.27 -24.92 68.08 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.81 111.179 -177.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 58.0 mtt -71.57 -37.33 71.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.105 0.479 . . . . 1.17 110.045 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 53.3 ttp -69.47 -44.36 71.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.002 -0.545 . . . . 1.2 109.561 177.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.7 -33.05 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.724 -0.671 . . . . 0.82 110.926 177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.39 -32.38 54.79 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 110.061 -0.348 . . . . 0.23 110.061 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -63.44 -42.66 98.68 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.196 0.522 . . . . 3.33 109.628 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -64.2 -46.9 81.86 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.874 -0.788 . . . . 1.89 108.874 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.517 ' HB2' ' HB3' ' A' ' 692' ' ' LEU . . . -56.65 -40.74 75.99 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.385 -0.825 . . . . 0.23 111.136 176.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -62.46 -44.02 97.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 1.76 110.073 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.1 mtm -67.95 -27.31 66.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.524 . . . . 0.79 111.071 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.9 mm? -85.05 -26.61 26.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.62 0.248 . . . . 0.53 111.109 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . 0.417 ' O ' ' HE2' ' A' ' 684' ' ' LYS . 50.2 t80 -81.5 -58.92 2.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.555 -0.293 . . . . 0.82 111.233 -177.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 19.6 p -89.68 -14.71 34.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.99 0.424 . . . . 1.45 111.467 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 82.2 168.78 42.33 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 115.878 -0.601 . . . . 1.4 112.363 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 114.93 173.73 17.95 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.643 -0.789 . . . . 2.07 111.996 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 56.69 27.77 13.13 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.885 0.474 . . . . 5.05 111.83 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 92.23 -4.41 77.37 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.597 -0.811 . . . . 1.41 112.768 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -96.19 134.88 38.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.681 0.277 . . . . 1.38 110.616 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -92.88 133.11 36.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.069 -0.715 . . . . 2.83 109.069 173.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 14.6 ptmm? -69.2 134.4 49.19 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.289 0.566 . . . . 1.72 111.421 -173.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -147.9 106.34 3.68 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.356 -0.838 . . . . 1.68 109.485 177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -52.42 -30.84 45.37 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.211 2.608 . . . . 0.42 113.763 -176.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . 0.453 ' HA ' ' HE1' ' A' ' 720' ' ' TRP . 0.9 OUTLIER -72.26 -50.15 29.48 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.835 -0.431 . . . . 2.21 109.835 -177.447 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -68.58 -31.84 71.32 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.448 -0.575 . . . . 3.24 109.448 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 20.1 m -54.85 -51.12 66.91 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.443 -0.799 . . . . 1.11 110.124 173.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.5 -32.88 75.72 Favored Glycine 0 N--CA 1.441 -0.979 0 C-N-CA 120.261 -0.971 . . . . 0.19 112.077 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -59.17 -51.27 70.72 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.089 0.471 . . . . 1.54 109.742 176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . 0.517 ' HB3' ' HB2' ' A' ' 672' ' ' ALA . 3.2 mm? -69.5 -34.49 74.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.045 -0.525 . . . . 1.35 111.364 -178.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . 0.422 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 10.1 m-85 -68.5 -39.1 81.4 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.809 -0.356 . . . . 1.33 111.333 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 13.2 p -71.65 -37.22 70.85 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.621 -0.432 . . . . 0.31 110.085 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -67.3 -37.71 83.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 2.13 110.12 174.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -63.46 -38.91 92.97 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.306 -0.406 . . . . 0.18 110.605 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.9 -36.0 79.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.925 0.393 . . . . 0.2 110.037 177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.8 -45.77 92.4 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.786 -0.643 . . . . 1.84 109.9 175.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.8 -28.85 67.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.181 0.515 . . . . 0.21 110.684 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.63 -48.88 52.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.831 -0.622 . . . . 0.16 110.283 178.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -70.19 -25.25 63.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.369 . . . . 0.76 110.23 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.96 -42.94 89.27 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.305 0.574 . . . . 2.58 109.87 171.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -82.43 17.0 1.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.46 -0.791 . . . . 0.45 111.13 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . 0.429 ' HB3' ' HG3' ' A' ' 628' ' ' PRO . 98.1 mmm 57.61 44.62 20.54 Favored 'General case' 0 CA--C 1.523 -0.084 0 CA-C-N 115.746 -0.661 . . . . 2.61 110.505 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -122.23 78.02 1.45 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.491 -0.777 . . . . 1.59 109.633 177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . 0.42 ' CA ' ' HB3' ' A' ' 634' ' ' TRP . . . -64.12 -40.16 97.83 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 115.397 -0.82 . . . . 0.47 113.495 -175.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 40.1 ttt180 -66.51 -43.43 85.27 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 117.262 0.531 . . . . 3.9 110.492 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.11 -45.46 94.59 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.004 -0.544 . . . . 1.02 109.857 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -56.74 -46.96 81.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.284 -0.871 . . . . 0.21 110.789 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -58.45 -50.1 74.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 1.6 110.872 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 714' ' ' GLN . 8.5 tt0 -59.43 -54.55 45.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.78 0.324 . . . . 1.83 111.697 179.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -62.13 -32.12 72.67 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.652 -0.419 . . . . 0.44 111.557 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -71.26 -36.37 71.72 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.277 -0.638 . . . . 2.95 109.277 175.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . 0.46 ' HB3' ' O ' ' A' ' 711' ' ' GLN . 3.2 tt0 -60.49 -35.18 75.32 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.535 -0.757 . . . . 1.98 110.377 173.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -81.98 -30.24 31.72 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 108.882 -0.784 . . . . 1.67 108.882 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.54 -51.45 59.8 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.033 -0.53 . . . . 0.25 110.229 173.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -58.33 -46.04 86.94 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.564 -0.743 . . . . 2.16 110.113 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.64 -41.16 97.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 2.2 110.758 178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.16 -53.5 57.39 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.438 -0.346 . . . . 0.37 110.916 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . 0.453 ' HE1' ' HA ' ' A' ' 687' ' ' GLN . 22.4 m0 -70.08 -35.39 74.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.449 -0.341 . . . . 0.47 111.425 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -68.64 -36.91 79.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.684 -0.234 . . . . 0.64 111.478 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -85.83 -60.68 1.95 Allowed 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.396 -0.522 . . . . 2.38 111.35 -177.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 69.3 mtm 35.48 44.78 0.2 Allowed 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.756 0.66 . . . . 2.42 111.894 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -164.58 76.97 0.32 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.465 0.65 . . . . 4.88 109.816 -173.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . 0.452 ' HG2' ' OXT' ' A' ' 725' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.034 -0.984 . . . . 5.52 110.151 -179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 111.985 -0.446 . . . . 15.53 111.985 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 15.1 m -75.99 124.24 27.05 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.916 0.388 . . . . 14.35 110.568 -179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 15.8 p80 -107.73 105.06 14.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.326 0.584 . . . . 13.37 110.024 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 96.1 mmm -82.61 71.51 9.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.08 -0.509 . . . . 13.3 110.403 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 15.4 m -62.7 133.99 95.19 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.963 -0.562 . . . . 9.26 109.664 177.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . 0.433 ' HB3' ' HG3' ' A' ' 655' ' ' GLU . 58.2 Cg_endo -72.82 69.81 3.62 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 123.043 2.495 . . . . 7.14 113.313 -174.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -71.7 -36.47 70.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.846 -0.616 . . . . 7.07 109.803 175.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -105.24 89.08 3.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.59 -0.732 . . . . 8.95 109.608 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 2.0 p -125.79 57.74 1.35 Allowed 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.083 -0.508 . . . . 4.38 110.801 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -133.25 11.19 4.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.046 -0.525 . . . . 4.67 111.746 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -95.98 -20.13 18.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.078 0.466 . . . . 5.22 110.879 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . . . . . . . . . 41.6 p-90 -65.93 -17.49 64.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.694 -0.685 . . . . 3.28 110.999 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.42 -25.85 62.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.914 -0.585 . . . . 3.12 111.036 177.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' ' 639' ' ' HIS . 13.6 tp10 -66.15 -32.57 74.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.103 0.477 . . . . 5.37 110.278 177.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -68.63 -40.42 80.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.369 0.604 . . . . 2.89 110.226 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.416 HD21 ' CE2' ' A' ' 713' ' ' TYR . 10.3 mp -77.04 -10.55 59.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.709 -0.678 . . . . 2.25 111.083 176.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 636' ' ' GLU . 16.3 t-160 -69.93 -38.02 76.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.985 -0.552 . . . . 5.62 111.022 -176.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 11.9 p-90 -98.82 -29.64 12.86 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.462 -0.495 . . . . 7.07 111.713 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 58.7 -170.2 0.12 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.178 0.436 . . . . 5.5 112.178 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 8.0 t30 59.49 75.17 0.41 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.61 0.719 . . . . 4.9 110.1 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 7.3 t -147.11 58.76 1.17 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.367 -0.833 . . . . 4.46 110.359 -175.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -79.3 -51.8 8.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.726 -0.67 . . . . 5.98 111.396 -179.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 81.9 mt -96.94 -27.64 14.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.089 0.471 . . . . 8.01 110.496 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -77.7 149.62 34.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.868 -0.789 . . . . 8.8 108.868 174.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 50.3 tpp -109.12 131.03 55.46 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.856 0.36 . . . . 12.08 110.795 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 11.3 p -93.26 76.97 4.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.147 -0.479 . . . . 10.68 110.755 176.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -77.11 72.03 3.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 13.39 111.254 -179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 11.6 p -88.26 29.25 0.98 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.551 0.691 . . . . 12.15 109.964 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -77.71 91.29 4.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.089 -0.959 . . . . 13.19 110.38 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -135.46 47.63 2.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.913 -0.585 . . . . 15.45 110.175 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -153.76 -68.46 0.01 OUTLIER Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.872 -0.68 . . . . 13.46 112.089 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 141.91 -45.23 0.95 Allowed Glycine 0 N--CA 1.445 -0.742 0 N-CA-C 110.943 -0.863 . . . . 12.43 110.943 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.433 ' HG3' ' HB3' ' A' ' 628' ' ' PRO . 4.5 mp0 55.04 46.38 24.31 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 114.934 -0.633 . . . . 10.98 111.82 172.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -96.64 96.26 8.51 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.717 -0.674 . . . . 11.8 109.428 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -131.25 -67.82 0.69 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.802 -0.635 . . . . 7.39 110.084 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 61.65 56.21 24.31 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.829 -0.623 . . . . 5.88 112.369 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.31 89.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.967 0.413 . . . . 3.98 110.6 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -88.38 51.35 2.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.78 0.8 . . . . 6.1 110.141 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -104.41 -91.08 0.38 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.234 -1.024 . . . . 3.86 108.234 175.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 662' ' ' GLU . 10.9 pt-20 -128.86 84.67 62.39 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.016 0.436 . . . . 3.19 110.673 165.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -81.28 116.57 3.04 Favored 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 121.218 1.278 . . . . 0.97 111.073 172.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . 0.452 ' HD2' HH11 ' A' ' 664' ' ' ARG . 7.5 ptp180 -83.13 -25.51 31.86 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.463 -0.495 . . . . 3.16 111.17 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . 0.472 ' CE2' ' HG3' ' A' ' 666' ' ' MET . 32.2 p90 -66.51 -29.53 69.65 Favored 'General case' 0 C--O 1.227 -0.096 0 C-N-CA 121.053 -0.259 . . . . 0.81 110.868 -176.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.472 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 67.4 mtt -70.7 -37.05 73.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.96 0.409 . . . . 1.17 109.959 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 58.7 ttp -69.6 -46.79 65.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.693 -0.685 . . . . 1.2 109.758 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 81.9 mt -65.14 -35.42 81.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.537 -0.756 . . . . 0.82 110.965 -179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.63 -32.27 57.92 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.842 0.353 . . . . 0.23 110.322 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -64.71 -42.24 95.41 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.747 -0.464 . . . . 3.33 109.747 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -65.63 -44.88 85.08 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.872 -0.604 . . . . 1.89 109.416 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 692' ' ' LEU . . . -53.8 -43.52 69.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.99 -0.55 . . . . 0.23 111.616 175.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.07 -37.7 86.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.957 0.408 . . . . 1.76 110.13 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.4 mtm -73.18 -22.88 60.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.325 -0.398 . . . . 0.79 110.813 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -86.33 -13.71 45.75 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.107 0.479 . . . . 0.53 110.082 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . 0.448 ' CZ ' ' HG2' ' A' ' 722' ' ' GLN . 38.3 t80 -75.98 -59.09 2.91 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.829 -0.623 . . . . 0.82 111.474 -176.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.422 HG23 ' CD1' ' A' ' 676' ' ' PHE . 13.2 p -113.94 8.66 17.27 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.22 0.452 . . . . 1.45 112.22 -176.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 80.95 87.16 0.62 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.201 -1.0 . . . . 1.4 111.482 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -81.87 51.05 4.38 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.277 -0.487 . . . . 2.07 113.061 -177.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 53.66 68.16 0.89 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.03 0.443 . . . . 5.05 111.469 176.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 138.7 -24.57 2.88 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.784 -0.722 . . . . 1.41 112.246 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -104.47 131.21 52.11 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.089 -0.337 . . . . 1.38 110.089 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.29 114.68 5.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.958 -0.565 . . . . 2.83 110.401 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -57.99 121.63 11.04 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.221 0.534 . . . . 1.72 110.311 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -153.72 97.27 2.71 Favored Pre-proline 0 C--N 1.317 -0.805 0 CA-C-N 115.392 -0.822 . . . . 1.68 109.649 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -51.71 -28.81 31.19 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.138 2.559 . . . . 0.42 113.325 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -67.51 -51.26 53.14 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 110.092 -0.336 . . . . 2.21 110.092 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -69.43 -32.61 71.68 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 109.728 -0.471 . . . . 3.24 109.728 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 17.3 t -54.69 -49.97 69.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.001 -0.545 . . . . 1.11 110.133 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -71.45 -29.48 68.03 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.359 -0.924 . . . . 0.19 111.713 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.99 -39.29 93.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.288 0.566 . . . . 1.54 109.805 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 672' ' ' ALA . 3.8 mm? -76.61 -35.59 58.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.005 -0.543 . . . . 1.35 111.065 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -66.32 -36.32 82.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.714 0.292 . . . . 1.33 111.072 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 17.4 p -71.99 -37.23 69.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.844 0.354 . . . . 0.31 110.241 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.51 -42.89 86.64 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.179 -0.464 . . . . 2.13 110.023 175.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.56 87.32 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.829 -0.623 . . . . 0.18 110.727 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.63 -36.38 82.45 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 120.776 0.322 . . . . 0.2 110.826 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.7 -40.84 98.39 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.258 -0.428 . . . . 1.84 110.129 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -71.78 -28.71 63.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.925 -0.58 . . . . 0.21 110.559 178.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -71.65 -48.39 48.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.757 -0.656 . . . . 0.16 110.418 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -66.86 -27.6 67.66 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 121.027 -0.269 . . . . 0.76 110.576 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.85 -40.22 94.82 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.289 0.566 . . . . 2.58 109.754 174.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -91.45 23.73 3.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.426 -0.806 . . . . 0.45 111.576 -176.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 83.5 mtp 58.41 39.72 24.95 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.254 0.55 . . . . 2.61 111.478 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -112.51 65.14 0.63 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.988 -0.551 . . . . 1.59 109.642 178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -54.0 -58.27 13.33 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 115.685 -0.689 . . . . 0.47 114.512 -173.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . 0.419 ' HB3' ' HG2' ' A' ' 655' ' ' GLU . 58.7 ttp180 -58.46 -35.83 72.77 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 117.202 0.501 . . . . 3.9 110.997 -178.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 7.3 mp -66.23 -46.55 76.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 1.02 109.958 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.23 -48.06 79.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.557 -0.747 . . . . 0.21 110.494 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -58.98 -46.17 88.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 1.6 110.805 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -57.52 -50.69 72.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.337 . . . . 1.83 110.952 178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -62.97 -32.06 73.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.434 -0.348 . . . . 0.44 111.787 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . 0.416 ' CE2' HD21 ' A' ' 638' ' ' LEU . 19.3 m-85 -69.45 -40.96 76.86 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.093 0.473 . . . . 2.95 109.971 171.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.31 -33.19 72.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.442 -0.799 . . . . 1.98 110.36 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -85.28 -27.73 25.79 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.519 -0.764 . . . . 1.67 109.123 -176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.53 -46.08 87.65 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 115.967 -0.56 . . . . 0.25 110.099 172.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -58.26 -48.88 79.05 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.925 -0.579 . . . . 2.16 110.312 175.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -59.72 -44.15 93.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.701 -0.681 . . . . 2.2 110.365 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.72 -45.74 81.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.496 -0.32 . . . . 0.37 111.517 179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 30.4 m0 -71.22 -22.68 61.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.855 0.36 . . . . 0.47 111.313 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -78.93 -29.63 44.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.437 0.636 . . . . 0.64 110.074 174.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . 0.448 ' HG2' ' CZ ' ' A' ' 676' ' ' PHE . 7.7 tp-100 -79.7 12.58 2.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.281 -0.872 . . . . 2.38 112.133 -176.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 70.2 mtm -60.76 -5.73 1.42 Allowed 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.941 0.401 . . . . 2.42 111.751 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -73.75 -13.4 60.95 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.169 -0.468 . . . . 4.88 110.94 173.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.569 -0.729 . . . . 5.52 110.391 179.498 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.854 -0.498 . . . . 15.53 111.854 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 32.5 t -145.46 149.36 34.53 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.806 0.336 . . . . 14.35 110.253 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . 0.428 ' HB3' ' O ' ' A' ' 653' ' ' GLY . 20.8 t-80 -144.39 -44.91 0.25 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.168 -0.679 . . . . 13.37 109.168 177.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.534 ' O ' ' HA ' ' A' ' 655' ' ' GLU . 46.2 tpp -111.75 144.48 40.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.407 -0.815 . . . . 13.3 108.946 171.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 21.3 m -153.48 147.43 18.67 Favored Pre-proline 0 C--N 1.321 -0.649 0 N-CA-C 109.945 -0.391 . . . . 9.26 109.945 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . 0.527 ' HB2' ' SG ' ' A' ' 631' ' ' CYS . 56.9 Cg_endo -72.63 71.18 3.28 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.473 2.115 . . . . 7.14 110.915 171.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -67.05 -23.03 65.84 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.314 -0.857 . . . . 7.07 111.352 -175.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -144.28 87.13 1.86 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.214 0.53 . . . . 8.95 110.996 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . 0.527 ' SG ' ' HB2' ' A' ' 628' ' ' PRO . 98.2 m -80.78 81.37 7.05 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.935 -0.575 . . . . 4.38 110.658 176.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -135.04 -77.34 0.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.515 . . . . 4.67 110.97 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.11 -32.17 73.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.994 -0.548 . . . . 5.22 111.82 -173.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . 0.574 ' CH2' ' HA2' ' A' ' 706' ' ' GLY . 30.3 p-90 -70.77 -20.26 62.63 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.5 -0.48 . . . . 3.28 111.116 -173.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.04 -44.38 69.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.351 0.596 . . . . 3.12 109.517 175.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -68.24 -41.85 80.58 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.26 -0.882 . . . . 5.37 109.846 176.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . 0.411 ' HB3' ' HA ' ' A' ' 634' ' ' TRP . . . -61.7 -34.91 76.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.307 -0.86 . . . . 2.89 110.883 177.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.481 ' HA ' ' HB2' ' A' ' 641' ' ' TYR . 28.2 tp -62.84 -28.74 70.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 2.25 110.964 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -73.8 -27.24 61.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.218 0.532 . . . . 5.62 109.929 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 49.6 t-105 -96.28 2.14 52.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.788 0.804 . . . . 7.07 109.591 179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . 0.481 ' HB2' ' HA ' ' A' ' 638' ' ' LEU . 22.2 t80 -80.17 60.1 3.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.374 -0.83 . . . . 5.5 110.162 -174.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . 0.415 ' HA ' ' OE1' ' A' ' 717' ' ' GLU . 19.6 m120 -80.32 49.04 1.08 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.232 -0.894 . . . . 4.9 110.48 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 30.0 p -88.21 100.98 13.39 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.366 -0.833 . . . . 4.46 110.157 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -90.6 -60.4 1.93 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.414 -0.357 . . . . 5.98 110.904 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 92.4 mt -119.9 38.76 3.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.271 0.558 . . . . 8.01 110.611 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -86.59 140.01 30.28 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.738 -0.664 . . . . 8.8 110.327 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 32.8 tpp -66.46 113.47 4.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.925 -0.579 . . . . 12.08 110.442 178.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 6.4 m -66.75 95.88 0.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.892 -0.595 . . . . 10.68 110.58 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -108.64 54.64 0.65 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.689 0.757 . . . . 13.39 110.006 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 5.1 p -134.36 81.6 1.92 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.465 -0.788 . . . . 12.15 109.21 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.46 132.56 44.77 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.308 -0.86 . . . . 13.19 111.301 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -79.61 70.52 6.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.717 -0.674 . . . . 15.45 110.43 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . 0.428 ' O ' ' HB3' ' A' ' 625' ' ' HIS . . . -78.8 59.92 4.16 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.143 -0.551 . . . . 13.46 112.532 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 65.74 71.58 0.87 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 121.524 -0.37 . . . . 12.43 113.221 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.534 ' HA ' ' O ' ' A' ' 626' ' ' MET . 32.3 tt0 -89.81 92.27 8.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.226 0.536 . . . . 10.98 109.835 176.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -102.63 120.82 41.21 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.775 -0.648 . . . . 11.8 110.541 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -99.58 -46.8 5.33 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.803 -0.635 . . . . 7.39 111.21 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 142.83 -33.95 1.82 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.013 -0.613 . . . . 5.88 112.505 -177.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . 0.4 ' HG2' ' HB1' ' A' ' 703' ' ' ALA . 10.7 tpt -63.58 107.25 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.993 0.425 . . . . 3.98 111.332 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.414 ' O ' ' HG2' ' A' ' 660' ' ' GLN . 7.9 tt0 -123.65 19.9 9.47 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.584 0.707 . . . . 6.1 109.797 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -89.07 -174.31 4.4 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.302 -0.629 . . . . 3.86 109.302 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -58.35 107.89 1.11 Allowed Pre-proline 0 N--CA 1.465 0.299 0 N-CA-C 111.803 0.298 . . . . 3.19 111.803 -176.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -80.74 120.86 3.97 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.227 1.951 . . . . 0.97 112.62 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -80.1 -39.2 30.09 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.318 0.58 . . . . 3.16 110.334 174.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . 0.61 ' OH ' ' HE3' ' A' ' 705' ' ' LYS . 28.7 p90 -59.29 -27.39 65.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.02 -0.991 . . . . 0.81 112.198 -171.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 67.9 mtt -72.25 -42.84 65.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.77 0.319 . . . . 1.17 110.414 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 11.9 tmm? -70.23 -43.6 70.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.857 -0.794 . . . . 1.2 108.857 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.9 mp -60.23 -41.73 93.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.529 -0.76 . . . . 0.82 110.895 177.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.77 61.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.747 0.308 . . . . 0.23 110.525 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -65.42 -41.98 92.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.26 -0.427 . . . . 3.33 109.929 178.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -69.24 -41.59 76.79 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.553 -0.536 . . . . 1.89 109.553 177.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.46 70.73 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.931 0.396 . . . . 0.23 110.92 174.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -68.53 -37.14 79.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.306 -0.406 . . . . 1.76 110.149 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.7 mtm -73.09 -17.03 61.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.79 110.405 176.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.616 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.1 mm? -86.73 -29.57 22.28 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.16 -0.473 . . . . 0.53 110.107 174.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . 0.428 ' O ' ' HE3' ' A' ' 684' ' ' LYS . 16.1 t80 -87.45 -54.73 4.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.5 -0.318 . . . . 0.82 111.422 -177.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 59.9 p -96.68 5.05 51.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.91 0.386 . . . . 1.45 111.584 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 88.04 162.46 38.1 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.361 -0.923 . . . . 1.4 111.067 -176.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -163.74 -175.48 34.7 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.131 -1.033 . . . . 2.07 112.578 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -72.25 84.0 1.04 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.953 0.406 . . . . 5.05 110.665 -177.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 96.98 6.8 57.81 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.946 -0.645 . . . . 1.41 112.052 -178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -112.1 122.44 47.75 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.373 -0.232 . . . . 1.38 110.373 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -83.51 138.09 33.58 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.613 -0.514 . . . . 2.83 109.613 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . 0.616 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 19.9 ptmt -72.64 127.55 32.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.484 0.659 . . . . 1.72 111.21 -176.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -144.59 98.48 4.92 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.023 -0.99 . . . . 1.68 109.259 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -52.16 -31.18 44.36 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.145 2.563 . . . . 0.42 113.435 -175.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -67.12 -55.18 15.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.705 0.288 . . . . 2.21 110.593 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' A' ' 688' ' ' ARG . 0.9 OUTLIER -68.55 -30.4 69.18 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.264 -0.643 . . . . 3.24 109.264 -178.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 29.0 m -54.79 -51.5 65.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.841 -0.618 . . . . 1.11 110.405 175.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.24 -35.45 82.89 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.352 -0.928 . . . . 0.19 112.023 -179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.576 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 2.0 m-20 -61.86 -47.93 82.78 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.946 -0.302 . . . . 1.54 110.322 178.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . 0.435 HD22 ' CZ ' ' A' ' 688' ' ' ARG . 23.7 tp -74.52 -32.0 62.34 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 120.633 -0.427 . . . . 1.35 110.861 -178.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -66.37 -35.84 81.35 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 120.888 -0.325 . . . . 1.33 110.8 175.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 9.8 p -75.53 -33.21 60.69 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.648 -0.421 . . . . 0.31 110.418 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 55.2 mt-30 -65.43 -41.02 93.98 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.126 -0.694 . . . . 2.13 109.126 172.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -62.29 -39.75 94.0 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.573 -0.739 . . . . 0.18 110.807 175.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.75 -37.22 85.77 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.623 0.249 . . . . 0.2 110.466 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -60.21 -49.99 75.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 1.84 109.837 175.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -64.92 -30.27 71.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.21 110.838 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.15 -53.16 18.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.013 -0.54 . . . . 0.16 110.761 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -69.08 -25.59 64.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.848 0.356 . . . . 0.76 110.349 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.15 -32.91 69.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.394 0.616 . . . . 2.58 109.844 174.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.4 ' HB1' ' HG2' ' A' ' 659' ' ' MET . . . -89.91 18.21 5.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.508 -0.769 . . . . 0.45 111.086 179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 7.1 tpt 67.11 23.32 9.65 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.894 -0.594 . . . . 2.61 111.018 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . 0.61 ' HE3' ' OH ' ' A' ' 665' ' ' TYR . 75.0 mmtt -102.07 76.25 1.58 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.05 -0.523 . . . . 1.59 110.474 -177.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . 0.574 ' HA2' ' CH2' ' A' ' 634' ' ' TRP . . . -57.42 -50.42 65.02 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.256 -0.497 . . . . 0.47 113.353 -178.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . 0.442 ' NH2' ' HG2' ' A' ' 626' ' ' MET . 2.7 tpp180 -53.29 -50.25 65.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.086 0.47 . . . . 3.9 110.968 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.32 -45.93 91.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.508 -0.769 . . . . 1.02 110.579 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.58 -44.56 89.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.21 110.986 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -61.49 -50.25 73.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 1.6 110.572 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . 0.431 ' OE1' ' HG3' ' A' ' 707' ' ' ARG . 25.5 mt-30 -56.7 -56.19 24.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 1.83 111.504 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -61.38 -33.08 73.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.289 -0.414 . . . . 0.44 111.851 -177.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 23.6 t80 -71.4 -41.03 70.12 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.395 -0.522 . . . . 2.95 109.627 177.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.57 -25.41 67.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.631 0.729 . . . . 1.98 109.97 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -86.02 -32.05 21.67 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.423 -0.808 . . . . 1.67 108.983 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.23 -46.18 84.96 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-N 115.844 -0.616 . . . . 0.25 110.051 173.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . 0.415 ' OE1' ' HA ' ' A' ' 642' ' ' ASN . 7.0 mm-40 -62.44 -43.17 99.47 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.668 -0.697 . . . . 2.16 110.259 177.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -57.95 -44.86 87.23 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.085 -0.507 . . . . 2.2 110.683 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.31 -52.32 63.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.099 -0.5 . . . . 0.37 111.33 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 34.5 m0 -73.27 -32.63 64.78 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.996 0.369 . . . . 0.47 111.996 -178.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -75.29 -37.92 60.63 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.364 0.505 . . . . 0.64 112.364 -177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -69.08 -61.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.674 0.249 . . . . 2.38 111.674 -173.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 62.2 mtm 30.54 55.38 0.19 Allowed 'General case' 0 N--CA 1.477 0.883 0 O-C-N 124.156 0.91 . . . . 2.42 113.03 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -144.13 -1.23 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.979 0.419 . . . . 4.88 111.101 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 C--N 1.319 -0.75 0 CA-C-O 118.628 -0.701 . . . . 5.52 109.947 -176.794 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 112.261 -0.336 . . . . 15.53 112.261 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 39.9 m -92.32 50.21 1.6 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.894 -0.18 . . . . 14.35 111.093 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 72.52 -52.17 0.7 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.318 0.647 . . . . 13.37 111.277 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 16.3 tpt -165.31 125.98 1.92 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.706 -0.479 . . . . 13.3 109.706 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 13.1 m -77.99 147.69 74.0 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.226 -0.443 . . . . 9.26 109.851 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . 0.51 ' HD3' ' O ' ' A' ' 656' ' ' TYR . 73.8 Cg_endo -74.74 56.32 4.06 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 123.144 2.562 . . . . 7.14 112.64 -175.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -83.61 -24.58 31.41 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.735 -0.666 . . . . 7.07 110.648 -177.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -119.87 20.39 12.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.418 -0.355 . . . . 8.95 111.743 -175.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 88.7 m -76.58 69.69 3.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.106 0.479 . . . . 4.38 110.235 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -121.02 1.36 10.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.97 -0.559 . . . . 4.67 110.811 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -73.01 -31.74 64.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 5.22 111.395 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . 0.523 ' HA ' ' SG ' ' A' ' 650' ' ' CYS . 67.3 p-90 -65.04 -25.08 67.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.104 0.478 . . . . 3.28 110.541 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 34.2 mt -62.48 -41.0 98.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.731 -0.668 . . . . 3.12 110.218 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -63.74 -43.03 97.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.115 -0.493 . . . . 5.37 110.08 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.78 -47.74 81.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.654 -0.703 . . . . 2.89 110.586 177.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.66 -32.5 74.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.386 -0.825 . . . . 2.25 111.576 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -81.05 -20.42 41.66 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.106 0.41 . . . . 5.62 112.106 -175.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 51.3 m95 -82.04 -38.66 24.64 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.775 -0.37 . . . . 7.07 111.693 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 54.4 t80 71.18 159.83 0.21 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 123.588 0.555 . . . . 5.5 110.452 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . 0.41 ' HA ' HD22 ' A' ' 642' ' ' ASN . 6.5 m120 58.9 43.75 17.61 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.128 0.571 . . . . 4.9 112.026 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 42.4 p -90.59 59.82 4.37 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.141 -0.481 . . . . 4.46 109.986 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -81.16 -72.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.937 -0.574 . . . . 5.98 111.514 -175.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 94.2 mt -93.49 -7.1 45.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.4 0.619 . . . . 8.01 110.007 -179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -78.42 111.38 14.38 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.228 -0.896 . . . . 8.8 109.734 175.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . 0.438 ' HA ' ' NE2' ' A' ' 714' ' ' GLN . 15.7 tpt -82.41 94.84 7.49 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.151 0.501 . . . . 12.08 109.895 178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.7 p -68.01 130.34 42.65 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.387 -0.824 . . . . 10.68 111.476 -178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.47 89.45 4.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.959 -0.564 . . . . 13.39 110.098 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . 0.523 ' SG ' ' HA ' ' A' ' 634' ' ' TRP . 61.2 m -124.22 44.81 2.64 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.167 0.508 . . . . 12.15 110.945 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -155.82 121.57 4.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.566 -0.743 . . . . 13.19 110.061 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -92.34 64.01 4.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.079 0.466 . . . . 15.45 111.328 -177.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 70.98 48.9 30.54 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.863 -0.608 . . . . 13.46 112.982 175.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 72.39 70.44 1.22 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.963 -0.636 . . . . 12.43 112.623 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.446 ' OE1' ' HA ' ' A' ' 628' ' ' PRO . 13.6 tt0 -96.76 128.5 43.77 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.338 -0.616 . . . . 10.98 109.338 178.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . 0.51 ' O ' ' HD3' ' A' ' 628' ' ' PRO . 14.1 m-85 -84.0 108.67 17.1 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.16 -0.473 . . . . 11.8 111.028 -174.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . 0.458 ' HA ' ' HB3' ' A' ' 628' ' ' PRO . 12.6 p30 -79.62 40.46 0.45 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.442 -0.799 . . . . 7.39 112.667 -174.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 75.46 -72.21 1.73 Allowed Glycine 0 C--O 1.235 0.202 0 C-N-CA 121.27 -0.491 . . . . 5.88 112.97 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 16.5 tpt 67.32 102.14 0.05 OUTLIER 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.448 0.699 . . . . 3.98 112.339 179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -82.89 155.69 23.96 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.626 -0.715 . . . . 6.1 109.951 173.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -76.08 -6.91 53.31 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.442 0.534 . . . . 3.86 112.442 -170.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -117.15 88.46 27.24 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 109.897 -0.408 . . . . 3.19 109.897 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.37 118.01 3.53 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.703 1.602 . . . . 0.97 112.648 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -82.33 -44.77 15.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.674 0.75 . . . . 3.16 110.966 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . 0.63 ' OH ' ' HE2' ' A' ' 705' ' ' LYS . 44.7 p90 -59.78 -28.98 67.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.01 -0.995 . . . . 0.81 111.795 -175.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.492 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 63.8 mtt -69.74 -32.92 71.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.62 0.247 . . . . 1.17 110.606 -177.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 58.9 ttp -70.8 -44.47 66.52 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.401 -0.592 . . . . 1.2 109.401 176.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -64.54 -36.3 83.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.474 -0.784 . . . . 0.82 110.733 179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.59 -32.93 53.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.403 -0.362 . . . . 0.23 110.333 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . 0.533 ' O ' ' HG3' ' A' ' 674' ' ' MET . 34.4 ttm180 -65.2 -40.47 94.22 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.55 -0.537 . . . . 3.33 109.55 176.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -63.51 -48.2 78.56 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 108.979 -0.748 . . . . 1.89 108.979 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.9 -40.73 76.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.245 -0.888 . . . . 0.23 111.674 177.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -69.32 -33.49 73.23 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.266 -0.272 . . . . 1.76 110.266 -178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . 0.533 ' HG3' ' O ' ' A' ' 670' ' ' ARG . 84.4 mtp -68.73 -30.76 69.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.431 -0.35 . . . . 0.79 110.257 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.595 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.9 mm? -77.58 -35.63 52.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.53 110.993 175.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -73.99 -48.81 27.71 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.128 -0.487 . . . . 0.82 111.258 -175.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 64.0 p -85.31 -20.76 29.51 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.801 0.297 . . . . 1.45 111.801 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 75.04 -166.27 54.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.797 -0.716 . . . . 1.4 111.527 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 157.88 -164.1 33.04 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.508 -0.853 . . . . 2.07 112.245 177.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -75.7 85.12 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.875 0.369 . . . . 5.05 110.332 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 125.12 -23.49 6.13 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.575 -0.822 . . . . 1.41 112.179 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.3 120.7 43.3 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.775 0.322 . . . . 1.38 110.162 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -86.12 120.67 27.74 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.077 -0.712 . . . . 2.83 109.077 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 14.9 ptmm? -59.85 124.58 20.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.228 0.537 . . . . 1.72 111.036 -177.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -141.76 102.29 5.89 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.698 -0.683 . . . . 1.68 110.174 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.82 -30.07 66.0 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.954 2.436 . . . . 0.42 113.13 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 18.8 tm0? -67.57 -54.32 20.87 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 109.917 -0.401 . . . . 2.21 109.917 -176.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -70.13 -31.47 69.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.991 -0.374 . . . . 3.24 109.991 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 45.2 m -55.98 -47.32 77.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 1.11 110.234 175.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.1 -32.47 72.9 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.252 -0.975 . . . . 0.19 111.852 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 33.1 t70 -63.38 -44.79 93.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.238 0.542 . . . . 1.54 110.2 178.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 50.2 mt -72.03 -35.8 69.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.988 -0.551 . . . . 1.35 110.986 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -70.14 -33.68 72.1 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 121.023 -0.271 . . . . 1.33 111.298 177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 5.3 p -70.89 -37.15 73.0 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 120.572 -0.451 . . . . 0.31 110.115 176.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 23.4 mt-30 -66.17 -41.31 90.49 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 116.217 -0.447 . . . . 2.13 109.816 174.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.3 97.29 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.18 111.138 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.85 -35.9 81.1 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.2 110.222 178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -60.52 -48.81 80.14 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.812 -0.631 . . . . 1.84 109.957 175.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -66.62 -28.32 68.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 0.21 110.913 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -74.3 -51.2 15.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.902 -0.59 . . . . 0.16 110.678 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . 0.415 ' HB2' ' CH2' ' A' ' 634' ' ' TRP . 25.3 ptt? -63.62 -35.02 79.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.917 0.389 . . . . 0.76 110.199 -178.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -70.72 -28.75 64.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.906 -0.588 . . . . 2.58 109.947 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -92.06 21.04 5.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.799 -0.637 . . . . 0.45 111.407 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 44.8 ttm 71.59 4.45 5.05 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.191 0.519 . . . . 2.61 111.622 174.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . 0.63 ' HE2' ' OH ' ' A' ' 665' ' ' TYR . 30.5 mmmt -88.14 62.39 6.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.172 -0.467 . . . . 1.59 110.323 -177.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -53.51 -47.54 62.96 Favored Glycine 0 CA--C 1.521 0.455 0 CA-C-N 115.942 -0.572 . . . . 0.47 114.216 -175.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -64.29 -42.54 96.36 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 117.339 0.569 . . . . 3.9 110.826 -177.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.48 -41.49 96.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.358 -0.383 . . . . 1.02 110.137 177.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.09 -47.1 81.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.794 -0.639 . . . . 0.21 110.612 177.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -58.64 -48.77 79.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.847 -0.615 . . . . 1.6 110.626 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -58.38 -54.31 48.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.437 -0.347 . . . . 1.83 111.508 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -59.96 -33.12 71.5 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.099 -0.241 . . . . 0.44 111.129 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -71.03 -39.38 72.37 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.808 -0.441 . . . . 2.95 109.808 177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . 0.438 ' NE2' ' HA ' ' A' ' 647' ' ' MET . 34.5 tt0 -64.35 -26.25 68.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.855 -0.611 . . . . 1.98 110.116 176.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -85.43 -32.33 22.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.532 -0.758 . . . . 1.67 108.986 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.37 -49.3 69.85 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.789 -0.641 . . . . 0.25 109.999 174.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -60.87 -43.45 98.38 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.539 -0.755 . . . . 2.16 110.328 176.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -58.83 -42.71 89.87 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.404 -0.362 . . . . 2.2 110.63 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -58.65 -52.18 66.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.076 -0.511 . . . . 0.37 111.23 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 33.9 m0 -72.76 -39.91 66.42 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.722 0.267 . . . . 0.47 111.722 -177.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -69.17 -32.56 71.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.768 0.285 . . . . 0.64 111.768 -176.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -87.88 -60.3 2.01 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.932 -0.707 . . . . 2.38 111.153 -178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 75.4 mtm 42.37 42.19 2.53 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.29 0.567 . . . . 2.42 111.08 -173.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -152.81 62.43 0.79 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.321 -0.854 . . . . 4.88 109.64 -174.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.568 -0.729 . . . . 5.52 109.95 -177.938 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 N-CA-C 111.652 -0.579 . . . . 15.53 111.652 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 69.3 m -80.12 64.97 5.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.36 0.6 . . . . 14.35 110.708 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -135.14 148.11 49.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.614 -0.721 . . . . 13.37 110.4 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -95.74 73.57 3.13 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.072 -0.714 . . . . 13.3 109.072 173.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.418 ' HA ' ' HD3' ' A' ' 628' ' ' PRO . 13.0 p -82.01 141.13 46.76 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.812 -0.631 . . . . 9.26 110.769 -176.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 627' ' ' SER . 17.1 Cg_exo -68.16 69.29 0.94 Allowed 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.033 2.489 . . . . 7.14 111.51 173.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -92.31 -31.23 15.46 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.66 -0.7 . . . . 7.07 111.0 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -120.08 56.78 0.95 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.14 0.495 . . . . 8.95 110.152 -176.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . 0.496 ' HB3' ' CZ2' ' A' ' 634' ' ' TRP . 76.4 m -71.63 -6.82 43.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 4.38 112.127 -177.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -58.65 -27.22 64.56 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.567 0.222 . . . . 4.67 110.851 179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.31 -52.65 43.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.036 -0.529 . . . . 5.22 111.552 -178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . 0.625 ' CZ3' ' HB2' ' A' ' 701' ' ' MET . 51.3 p-90 -88.92 -34.39 16.94 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.923 -0.311 . . . . 3.28 111.438 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.33 -47.62 85.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 3.12 110.206 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -72.22 -39.25 68.68 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.036 -0.529 . . . . 5.37 110.048 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 641' ' ' TYR . . . -54.34 -52.8 60.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.865 -0.607 . . . . 2.89 111.361 -178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.36 -12.01 54.43 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.318 0.488 . . . . 2.25 112.318 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -75.8 -43.52 45.83 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.12 -0.326 . . . . 5.62 110.12 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -104.66 -3.96 23.08 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.753 0.279 . . . . 7.07 111.753 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . 0.522 ' HB2' ' O ' ' A' ' 637' ' ' ALA . 12.3 t80 -63.44 118.54 8.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.059 0.457 . . . . 5.5 110.813 -174.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 717' ' ' GLU . 2.9 t-20 -154.12 80.56 1.13 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.427 -0.806 . . . . 4.9 108.926 176.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 3.3 t -175.75 111.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.712 -0.676 . . . . 4.46 110.516 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -73.89 -19.57 60.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.748 -0.66 . . . . 5.98 111.981 -177.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 96.4 mt -125.08 84.67 2.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.812 0.339 . . . . 8.01 110.212 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -130.03 154.82 47.02 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.013 0.435 . . . . 8.8 111.225 -176.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 13.8 tpt -133.87 75.0 1.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.38 0.609 . . . . 12.08 110.14 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 1.9 m -80.05 168.77 18.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.618 -0.719 . . . . 10.68 109.482 176.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -55.48 -68.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.937 -0.394 . . . . 13.39 109.937 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 43.5 t 65.73 125.57 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 O-C-N 123.939 0.774 . . . . 12.15 112.769 172.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -50.77 145.76 6.61 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.564 -0.744 . . . . 13.19 110.574 173.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -125.33 43.98 2.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.089 0.471 . . . . 15.45 110.991 -175.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 118.62 41.43 0.62 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 119.952 -1.118 . . . . 13.46 113.363 173.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -118.25 -156.66 10.31 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 110.672 -0.971 . . . . 12.43 110.672 173.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.42 ' HG2' ' HB3' ' A' ' 704' ' ' MET . 37.9 tt0 54.15 70.27 0.63 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.753 0.787 . . . . 10.98 110.558 176.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -90.9 69.89 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.606 -0.724 . . . . 11.8 111.816 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . 0.51 ' O ' ' HB2' ' A' ' 704' ' ' MET . 26.4 t70 -147.44 170.95 16.29 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.581 -0.896 . . . . 7.39 108.581 175.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 81.26 -45.32 3.2 Favored Glycine 0 C--O 1.229 -0.172 0 C-N-CA 121.21 -0.519 . . . . 5.88 112.586 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 15.6 tpt -68.8 106.9 2.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.862 0.363 . . . . 3.98 110.405 178.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -126.2 78.99 1.81 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.304 -0.407 . . . . 6.1 111.268 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 26.7 t70 72.69 -59.77 0.55 Allowed 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.273 -0.876 . . . . 3.86 112.92 173.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -113.43 98.23 45.95 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.413 0.149 . . . . 3.19 110.903 -173.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -79.45 119.84 4.26 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.897 1.731 . . . . 0.97 111.867 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . 0.416 ' O ' HD13 ' A' ' 668' ' ' LEU . 28.2 ptt-85 -80.57 -25.03 38.81 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 120.339 -0.544 . . . . 3.16 111.218 178.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . 0.421 ' CZ ' ' HG3' ' A' ' 705' ' ' LYS . 8.5 p90 -67.26 -32.26 73.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.642 0.258 . . . . 0.81 111.268 -176.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 60.5 mtt -73.58 -33.54 64.68 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.88 0.371 . . . . 1.17 110.17 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 6.3 tmm? -72.16 -44.48 63.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.927 -0.768 . . . . 1.2 108.927 178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 664' ' ' ARG . 9.2 mp -62.27 -35.58 79.41 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.715 -0.675 . . . . 0.82 110.619 176.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.69 -32.3 57.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.853 0.359 . . . . 0.23 110.401 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 674' ' ' MET . 60.9 ttt180 -63.9 -43.69 95.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.927 -0.579 . . . . 3.33 109.467 174.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -63.03 -48.03 80.5 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 108.889 -0.782 . . . . 1.89 108.889 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -57.03 -42.62 80.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.363 -0.835 . . . . 0.23 111.465 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -68.36 -35.25 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.635 0.255 . . . . 1.76 110.37 -178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . 0.453 ' O ' ' HA3' ' A' ' 678' ' ' GLY . 64.8 mtm -72.57 -27.0 61.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.663 0.268 . . . . 0.79 110.647 177.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.2 mm? -82.21 -28.72 31.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.415 -0.357 . . . . 0.53 111.208 177.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . 0.621 ' CZ ' ' HA ' ' A' ' 719' ' ' ALA . 11.9 t80 -89.06 -61.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.874 -0.331 . . . . 0.82 111.8 -176.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 25.8 p -101.13 18.59 19.43 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.0 0.429 . . . . 1.45 111.056 -176.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . 0.453 ' HA3' ' O ' ' A' ' 674' ' ' MET . . . -82.92 -122.34 0.76 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.851 -0.69 . . . . 1.4 113.014 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 97.16 2.82 59.08 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.871 -0.681 . . . . 2.07 111.905 -177.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -125.73 61.47 1.24 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.374 0.607 . . . . 5.05 109.668 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 130.48 -43.49 1.3 Allowed Glycine 0 N--CA 1.447 -0.627 0 N-CA-C 110.547 -1.021 . . . . 1.41 110.547 -176.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -112.02 120.77 43.0 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.946 -0.761 . . . . 1.38 108.946 173.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.11 118.2 10.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.35 -0.611 . . . . 2.83 109.35 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 21.6 ptmt -63.52 142.94 58.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.137 0.494 . . . . 1.72 111.449 -173.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -155.89 97.93 2.26 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-N 115.583 -0.735 . . . . 1.68 109.512 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -50.83 -31.64 34.14 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.297 2.665 . . . . 0.42 113.74 -176.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -68.02 -52.63 33.4 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 120.966 0.412 . . . . 2.21 110.024 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -66.27 -36.64 83.5 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.162 -0.681 . . . . 3.24 109.162 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . 0.403 ' HB3' ' HB2' ' A' ' 676' ' ' PHE . 20.0 m -54.41 -54.56 39.07 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.261 -0.881 . . . . 1.11 110.582 176.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.43 -31.14 76.09 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.288 -0.958 . . . . 0.19 111.881 -178.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -63.18 -44.0 96.65 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.601 -0.518 . . . . 1.54 109.601 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 58.5 mt -70.55 -36.32 73.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.037 -0.529 . . . . 1.35 110.82 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . 0.422 ' HB3' ' HB2' ' A' ' 716' ' ' ALA . 24.6 m-85 -63.41 -42.63 98.76 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.802 0.334 . . . . 1.33 110.7 176.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 15.7 p -71.18 -37.33 72.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 116.468 -0.333 . . . . 0.31 110.44 -178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . 0.694 HE21 ' HA ' ' A' ' 695' ' ' GLN . 0.0 OUTLIER -65.89 -40.6 91.7 Favored 'General case' 0 C--O 1.238 0.486 0 N-CA-C 109.56 -0.533 . . . . 2.13 109.56 175.064 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.19 94.21 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.963 -0.562 . . . . 0.18 110.922 175.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.83 -37.23 85.67 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.2 110.34 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -61.66 -46.69 88.67 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.103 -0.499 . . . . 1.84 110.092 174.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -68.12 -28.9 67.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.968 0.413 . . . . 0.21 110.738 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.24 -51.7 28.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.824 -0.626 . . . . 0.16 110.241 177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . 0.625 ' HB2' ' CZ3' ' A' ' 634' ' ' TRP . 24.3 ptt? -69.24 -25.65 64.4 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.951 0.405 . . . . 0.76 110.197 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -71.11 -33.81 70.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.129 0.49 . . . . 2.58 109.843 175.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -94.4 26.18 3.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.929 -0.578 . . . . 0.45 110.958 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . 0.51 ' HB2' ' O ' ' A' ' 657' ' ' ASP . 24.5 mmt 54.12 47.9 22.19 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.699 -0.682 . . . . 2.61 110.821 177.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . 0.421 ' HG3' ' CZ ' ' A' ' 665' ' ' TYR . 25.8 mmtm -127.18 64.03 1.32 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.345 -0.843 . . . . 1.59 109.877 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . 0.511 ' HA3' ' CD1' ' A' ' 634' ' ' TRP . . . -56.42 -39.8 84.49 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.565 -0.743 . . . . 0.47 113.513 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -55.25 -50.23 70.0 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.297 0.57 . . . . 3.9 110.201 176.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . 0.405 HD23 ' HB3' ' A' ' 705' ' ' LYS . 4.0 mm? -61.61 -45.33 94.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.388 -0.824 . . . . 1.02 110.266 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.84 83.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.781 -0.645 . . . . 0.21 111.126 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -62.81 -49.79 73.55 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.854 -0.425 . . . . 1.6 109.854 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -58.23 -55.45 34.77 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.021 -0.536 . . . . 1.83 111.532 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -60.2 -33.73 72.65 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.664 0.246 . . . . 0.44 111.664 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -70.25 -40.07 74.65 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.512 -0.475 . . . . 2.95 109.807 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -67.9 -25.92 65.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.453 0.644 . . . . 1.98 109.952 176.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -83.19 -29.01 28.91 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.059 -1.089 . . . . 1.67 108.059 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 693' ' ' TYR . . . -63.88 -47.43 80.7 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.384 -0.825 . . . . 0.25 110.103 170.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . 0.438 ' OE1' ' HA ' ' A' ' 642' ' ' ASN . 24.1 mt-10 -64.61 -38.98 92.88 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.767 -0.651 . . . . 2.16 110.298 178.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -59.13 -44.34 92.04 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 110.088 -0.338 . . . . 2.2 110.088 172.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . 0.621 ' HA ' ' CZ ' ' A' ' 676' ' ' PHE . . . -57.02 -47.97 79.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.355 -0.384 . . . . 0.37 111.511 178.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 34.0 m0 -76.24 -29.78 57.66 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.769 -0.372 . . . . 0.47 111.914 -179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -71.41 -31.1 66.86 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.254 0.55 . . . . 0.64 110.391 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -82.17 11.34 5.39 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.322 -0.854 . . . . 2.38 111.427 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 52.5 mtm -74.01 54.16 0.51 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.447 0.641 . . . . 2.42 110.18 174.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -126.22 22.55 7.18 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.382 -0.826 . . . . 4.88 109.527 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 C--O 1.245 0.849 0 CA-C-N 115.114 -0.948 . . . . 5.52 109.675 179.483 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 111.685 -0.566 . . . . 15.53 111.685 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 21.0 m -82.81 51.2 1.85 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.105 0.479 . . . . 14.35 111.277 -176.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . 0.412 ' C ' ' H ' ' A' ' 627' ' ' SER . 51.1 t60 -88.15 -68.45 0.76 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.764 -0.828 . . . . 13.37 108.764 176.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 83.6 mtp 69.17 -34.09 0.27 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.475 0.917 . . . . 13.3 113.475 169.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 625' ' ' HIS . 20.5 p -63.98 121.91 74.14 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 120.893 0.378 . . . . 9.26 111.745 -176.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . 0.508 ' HA ' ' SG ' ' A' ' 631' ' ' CYS . 93.2 Cg_endo -82.21 -5.58 11.98 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.701 2.267 . . . . 7.14 111.445 175.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -76.58 -21.42 55.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.446 -0.797 . . . . 7.07 110.575 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . 0.444 HH21 ' CG ' ' A' ' 651' ' ' ASP . 60.6 mtm180 -122.3 78.4 1.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.175 0.512 . . . . 8.95 110.531 176.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' A' ' 628' ' ' PRO . 57.6 m -116.16 52.36 0.92 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.483 -0.781 . . . . 4.38 109.541 175.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -119.78 -49.05 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.837 -0.619 . . . . 4.67 111.644 -175.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -57.35 -34.25 68.6 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.741 0.645 . . . . 5.22 112.741 -173.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . 0.579 ' CZ2' ' HA3' ' A' ' 706' ' ' GLY . 53.9 p-90 -64.4 -26.36 68.43 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.042 0.448 . . . . 3.28 110.406 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.503 ' O ' ' HB2' ' A' ' 639' ' ' HIS . 43.1 mt -67.98 -34.05 75.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.917 -0.583 . . . . 3.12 110.716 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -66.06 -48.35 71.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.178 0.513 . . . . 5.37 110.206 175.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . 0.428 ' HB1' ' HB ' ' A' ' 643' ' ' THR . . . -63.34 -48.94 75.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.354 -0.839 . . . . 2.89 111.387 -177.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 28.7 tp -68.46 -27.9 66.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.033 -0.531 . . . . 2.25 110.756 -179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . 0.503 ' HB2' ' O ' ' A' ' 635' ' ' LEU . 28.4 t-80 -57.67 -44.63 85.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.095 -0.502 . . . . 5.62 111.051 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -97.3 7.61 46.22 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.15 0.5 . . . . 7.07 111.062 -177.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 32.3 t80 44.7 59.02 3.57 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 114.608 -1.178 . . . . 5.5 111.155 -176.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -153.09 84.55 1.21 Allowed 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.921 -0.77 . . . . 4.9 108.921 177.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . 0.428 ' HB ' ' HB1' ' A' ' 637' ' ' ALA . 12.5 t -133.03 18.54 4.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.178 0.436 . . . . 4.46 112.178 -173.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -65.63 -33.64 76.36 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.134 0.493 . . . . 5.98 110.78 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 31.3 tp -116.62 46.99 1.52 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.078 -0.712 . . . . 8.01 109.078 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -56.71 142.3 40.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.947 -1.024 . . . . 8.8 111.122 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 68.9 mtm -73.34 81.46 1.38 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.55 -0.537 . . . . 12.08 109.55 173.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 6.2 p -69.14 97.47 0.91 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.734 -0.667 . . . . 10.68 111.881 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -93.48 97.17 10.36 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.398 -0.593 . . . . 13.39 109.398 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 78.5 m -80.95 156.59 25.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.841 -0.618 . . . . 12.15 110.777 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . 0.444 ' CG ' HH21 ' A' ' 630' ' ' ARG . 5.2 m-20 -105.91 136.01 46.32 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.072 -0.513 . . . . 13.19 110.067 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.89 66.02 2.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.444 0.64 . . . . 15.45 110.318 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 165.33 -86.23 0.1 Allowed Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 110.636 -0.986 . . . . 13.46 110.636 -178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 87.0 96.49 0.86 Allowed Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.833 -0.699 . . . . 12.43 113.23 174.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -86.13 73.15 10.3 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.351 -0.611 . . . . 10.98 109.351 174.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -62.25 127.46 31.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.887 -0.597 . . . . 11.8 111.031 -173.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . 0.453 ' HB3' ' NZ ' ' A' ' 705' ' ' LYS . 14.2 t70 -71.17 101.19 2.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.546 -0.752 . . . . 7.39 110.635 177.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -97.29 74.84 0.67 Allowed Glycine 0 N--CA 1.445 -0.747 0 CA-C-N 115.789 -0.641 . . . . 5.88 111.502 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -56.73 145.34 29.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.984 0.421 . . . . 3.98 111.228 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -81.63 63.14 5.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.307 0.575 . . . . 6.1 110.594 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -158.67 138.36 11.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.296 -0.865 . . . . 3.86 108.993 178.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.11 114.84 16.7 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 121.0 0.429 . . . . 3.19 110.807 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -77.33 121.57 5.73 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 121.652 1.568 . . . . 0.97 111.948 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -73.05 -32.79 65.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.776 -0.647 . . . . 3.16 110.225 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -64.16 -29.24 70.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.545 -0.752 . . . . 0.81 111.987 -175.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 10.5 mmt -71.83 -38.53 70.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.864 0.364 . . . . 1.17 110.725 179.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 51.1 ttp -70.52 -42.72 70.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.421 0.629 . . . . 1.2 109.693 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 9.1 mp -66.57 -33.56 75.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.523 -0.762 . . . . 0.82 110.563 177.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.04 -32.59 59.41 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 110.238 -0.282 . . . . 0.23 110.238 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -62.04 -46.51 88.84 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.659 -0.497 . . . . 3.33 109.659 174.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -63.78 -44.66 92.72 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.304 -0.628 . . . . 1.89 109.304 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.481 ' HB2' ' HB3' ' A' ' 692' ' ' LEU . . . -53.73 -43.56 69.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.828 -0.623 . . . . 0.23 111.652 175.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.36 -38.06 77.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.85 0.357 . . . . 1.76 110.478 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.4 mtm -69.06 -27.07 65.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.79 110.35 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.85 -17.59 32.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.873 0.368 . . . . 0.53 110.346 175.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . 0.614 ' O ' ' HE3' ' A' ' 684' ' ' LYS . 47.3 t80 -83.53 -61.65 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.458 -0.337 . . . . 0.82 111.573 -179.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . 0.444 ' HA ' ' OE2' ' A' ' 725' ' ' GLU . 14.0 t -102.68 -0.85 31.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.011 0.434 . . . . 1.45 111.447 -173.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 97.32 128.32 5.91 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.372 -0.918 . . . . 1.4 111.784 -179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -126.42 168.54 18.54 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.874 -0.679 . . . . 2.07 111.933 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -72.5 84.01 1.11 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.817 0.341 . . . . 5.05 110.631 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 120.38 -14.96 10.03 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.872 -0.68 . . . . 1.41 111.734 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -113.16 121.11 43.54 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.295 -0.261 . . . . 1.38 110.295 178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -81.44 132.37 35.32 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.285 -0.635 . . . . 2.83 109.285 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . 0.614 ' HE3' ' O ' ' A' ' 676' ' ' PHE . 21.7 ptmt -67.5 141.2 56.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.444 0.64 . . . . 1.72 111.971 -174.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -154.94 113.99 2.36 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 114.776 -1.102 . . . . 1.68 109.177 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -52.62 -30.6 46.1 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 123.205 2.604 . . . . 0.42 113.593 -177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . 0.403 ' HA ' ' HE1' ' A' ' 720' ' ' TRP . 20.5 tm0? -72.33 -52.52 15.79 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.788 -0.365 . . . . 2.21 110.04 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -62.02 -35.57 78.95 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.657 -0.497 . . . . 3.24 109.657 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . 0.475 ' HG ' ' HD2' ' A' ' 676' ' ' PHE . 33.2 t -52.36 -56.72 13.01 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.42 -0.809 . . . . 1.11 110.41 175.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -68.55 -31.97 74.37 Favored Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.151 -1.023 . . . . 0.19 112.026 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.66 -51.94 67.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.01 0.433 . . . . 1.54 110.0 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . 0.481 ' HB3' ' HB2' ' A' ' 672' ' ' ALA . 4.5 mm? -67.68 -36.44 80.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.379 -0.373 . . . . 1.35 110.874 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . 0.479 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 8.3 m-85 -66.48 -38.23 86.83 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 120.926 -0.31 . . . . 1.33 111.191 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 14.0 p -71.93 -40.88 68.43 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.753 -0.379 . . . . 0.31 110.974 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.91 -40.78 95.6 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.289 -0.564 . . . . 2.13 110.03 174.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -58.64 -44.62 90.13 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.18 110.665 175.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.12 -35.82 80.58 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.801 0.334 . . . . 0.2 110.702 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -59.25 -49.08 79.21 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 115.985 -0.552 . . . . 1.84 109.64 175.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -66.27 -29.69 69.96 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.897 -0.592 . . . . 0.21 111.088 179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -71.89 -50.87 25.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.014 -0.539 . . . . 0.16 110.503 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 45.3 ttp -64.82 -30.6 71.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.19 -0.459 . . . . 0.76 110.143 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -63.53 -41.71 98.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.814 -0.63 . . . . 2.58 110.341 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -81.48 14.41 2.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.834 -0.621 . . . . 0.45 111.463 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 83.0 mtp 66.32 21.99 10.9 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.215 0.531 . . . . 2.61 111.209 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . 0.453 ' NZ ' ' HB3' ' A' ' 657' ' ' ASP . 30.8 mmmt -101.52 57.73 0.85 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.208 -0.664 . . . . 1.59 109.208 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . 0.579 ' HA3' ' CZ2' ' A' ' 634' ' ' TRP . . . -54.93 -38.02 64.04 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.319 -0.855 . . . . 0.47 113.63 -175.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -58.86 -49.76 76.53 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 117.07 0.435 . . . . 3.9 110.375 177.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.71 -46.21 91.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.574 -0.528 . . . . 1.02 109.574 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -54.45 -55.34 29.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 114.988 -1.006 . . . . 0.21 111.331 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . 0.464 ' CB ' ' HB2' ' A' ' 634' ' ' TRP . 5.5 t30 -64.2 -35.9 82.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.396 -0.366 . . . . 1.6 110.87 -176.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.34 -52.2 66.64 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 120.682 -0.407 . . . . 1.83 110.524 173.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -64.56 -25.69 68.09 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.989 0.366 . . . . 0.44 111.989 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -70.04 -43.77 70.58 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.572 -0.529 . . . . 2.95 109.572 170.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -58.44 -31.33 67.66 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.705 -0.679 . . . . 1.98 110.077 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . 0.49 ' HE2' ' CE1' ' A' ' 676' ' ' PHE . 6.2 tmtp? -82.86 -36.02 25.78 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 115.087 -0.961 . . . . 1.67 108.983 -175.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.37 89.16 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.821 -0.627 . . . . 0.25 110.466 175.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.98 -43.07 79.79 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.058 -0.519 . . . . 2.16 109.892 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -63.36 -38.44 91.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.338 -0.392 . . . . 2.2 110.429 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.46 58.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.691 0.282 . . . . 0.37 111.087 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . 0.403 ' HE1' ' HA ' ' A' ' 687' ' ' GLN . 30.2 m0 -71.98 -30.75 65.58 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.205 0.446 . . . . 0.47 112.205 -178.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -76.48 -44.14 36.66 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 111.965 0.358 . . . . 0.64 111.965 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -79.25 -58.86 3.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.473 -0.33 . . . . 2.38 110.774 -172.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 65.3 mtm 45.52 44.35 9.78 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.203 0.525 . . . . 2.42 110.958 -178.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -154.23 120.2 5.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.647 -0.706 . . . . 4.88 110.013 -175.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . 0.516 ' HB3' ' NZ ' ' A' ' 684' ' ' LYS . 35.4 tt0 . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.68 -0.676 . . . . 5.52 109.848 -177.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.838 0 N-CA-C 112.025 -0.43 . . . . 15.53 112.025 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 23.9 m -80.85 90.89 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.943 0.401 . . . . 14.35 111.239 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -77.17 89.95 3.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.01 -0.541 . . . . 13.37 109.634 176.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 23.7 ptt? -142.69 144.42 32.72 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.371 -0.377 . . . . 13.3 111.188 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.467 ' HB3' ' OD2' ' A' ' 657' ' ' ASP . 37.5 p -130.17 129.91 22.99 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.858 -0.61 . . . . 9.26 109.84 174.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . 0.51 ' HD2' ' O ' ' A' ' 704' ' ' MET . 57.9 Cg_endo -72.86 58.88 3.42 Favored 'Trans proline' 0 CA--C 1.53 0.279 0 C-N-CA 122.918 2.412 . . . . 7.14 112.304 178.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . 0.403 ' C ' ' H ' ' A' ' 631' ' ' CYS . 18.6 t70 -74.2 -41.11 61.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.857 -0.61 . . . . 7.07 110.644 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 630' ' ' ARG . 24.6 mtm180 -82.74 23.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.613 0.721 . . . . 8.95 110.22 177.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . 0.403 ' H ' ' C ' ' A' ' 629' ' ' ASP . 57.3 m -131.83 128.36 38.53 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.128 -0.942 . . . . 4.38 108.783 -179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -123.81 -6.35 7.96 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.811 -0.356 . . . . 4.67 111.598 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -73.4 -24.78 60.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 121.047 -0.261 . . . . 5.22 111.188 -176.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . . . . . . . . . 62.0 p-90 -73.32 -22.63 60.29 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.08 -0.248 . . . . 3.28 111.009 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.44 -39.47 74.34 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.435 -0.58 . . . . 3.12 109.435 174.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -65.85 -44.68 84.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.594 -0.73 . . . . 5.37 109.881 175.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -56.44 -42.88 78.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.751 -0.659 . . . . 2.89 110.443 175.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 67.0 tp -62.1 -40.8 97.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.63 -0.714 . . . . 2.25 111.19 177.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -60.2 -39.53 86.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.308 -0.406 . . . . 5.62 110.584 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -94.62 8.69 41.48 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.233 -0.44 . . . . 7.07 111.052 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . 0.446 ' CZ ' HG22 ' A' ' 648' ' ' THR . 49.9 t80 -90.99 35.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.87 0.843 . . . . 5.5 109.734 177.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -81.26 84.01 6.71 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.617 -0.719 . . . . 4.9 109.461 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 3.6 t -156.95 132.98 9.62 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.778 -0.647 . . . . 4.46 110.499 -177.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -74.33 -34.14 63.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.711 -0.677 . . . . 5.98 110.841 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 87.1 mt -105.33 -167.87 1.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.414 -0.587 . . . . 8.01 109.414 175.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 62.84 62.31 1.07 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.108 0.48 . . . . 8.8 110.374 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . 0.482 ' HA ' HE22 ' A' ' 714' ' ' GLN . 24.6 ttt -73.42 116.85 14.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.979 -0.555 . . . . 12.08 110.903 -178.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . 0.446 HG22 ' CZ ' ' A' ' 641' ' ' TYR . 11.9 t -83.58 136.92 34.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.079 -0.509 . . . . 10.68 109.809 174.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -119.48 8.02 11.26 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.267 0.556 . . . . 13.39 109.623 176.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 43.1 t -82.32 94.16 7.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.477 -0.783 . . . . 12.15 110.485 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . 0.457 ' HB2' ' HB2' ' A' ' 707' ' ' ARG . 28.9 t70 -96.0 145.56 25.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.909 -0.587 . . . . 13.19 110.172 179.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -136.42 157.76 46.02 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.014 -0.365 . . . . 15.45 110.014 179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -159.11 -74.32 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.579 -0.82 . . . . 13.46 112.531 -178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 123.34 -92.75 0.46 Allowed Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.81 -0.71 . . . . 12.43 111.98 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -155.01 142.68 19.82 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.211 -0.292 . . . . 10.98 110.211 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 54.0 t80 66.31 124.51 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 O-C-N 124.11 0.881 . . . . 11.8 111.57 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . 0.467 ' OD2' ' HB3' ' A' ' 627' ' ' SER . 22.4 t0 -110.21 120.45 42.47 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.929 -0.578 . . . . 7.39 110.163 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -70.13 -23.09 77.42 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 121.139 -0.553 . . . . 5.88 112.561 -178.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 18.7 ttt -68.03 116.42 8.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.969 0.414 . . . . 3.98 110.722 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -87.22 57.23 4.35 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.19 -0.459 . . . . 6.1 111.335 -177.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.522 ' O ' ' HD3' ' A' ' 663' ' ' PRO . 28.6 t70 71.03 -40.59 0.48 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.058 0.943 . . . . 3.86 113.545 174.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -75.12 106.84 3.16 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 120.774 0.321 . . . . 3.19 111.28 -175.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 661' ' ' ASP . 97.2 Cg_endo -82.42 119.67 3.09 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.019 1.812 . . . . 0.97 112.598 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -80.1 -35.22 37.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.675 0.75 . . . . 3.16 109.775 171.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . 0.641 ' CE2' ' HG3' ' A' ' 666' ' ' MET . 40.2 p90 -65.58 -35.2 80.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.163 -0.926 . . . . 0.81 111.73 -175.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.641 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 51.7 mtt -70.98 -28.69 64.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.649 0.262 . . . . 1.17 110.626 -179.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 59.6 ttp -69.9 -49.05 55.91 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.473 -0.566 . . . . 1.2 109.473 176.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.2 mp -63.15 -33.6 75.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.299 -0.864 . . . . 0.82 110.636 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -78.01 -31.89 50.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.23 110.474 -178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -62.9 -43.67 98.18 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 121.223 0.535 . . . . 3.33 109.69 175.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -65.65 -44.43 86.35 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.761 -0.654 . . . . 1.89 109.642 177.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.43 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -57.77 -39.96 78.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.806 -0.634 . . . . 0.23 111.166 175.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -63.55 -42.69 98.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.859 -0.609 . . . . 1.76 110.334 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.8 mtm -67.59 -25.04 65.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.79 110.483 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.72 -18.91 33.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.483 -0.326 . . . . 0.53 110.635 175.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -85.64 -62.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 121.179 -0.209 . . . . 0.82 111.229 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 37.4 p -88.38 -12.28 43.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.954 0.407 . . . . 1.45 111.76 -174.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 103.18 138.22 9.81 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.451 -0.88 . . . . 1.4 111.555 -178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -130.63 168.56 21.7 Favored Glycine 0 N--CA 1.439 -1.106 0 C-N-CA 120.229 -0.986 . . . . 2.07 112.073 -178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -79.61 79.42 6.09 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.461 -0.57 . . . . 5.05 109.461 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 122.59 -11.5 8.97 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.667 -0.697 . . . . 1.41 111.51 -174.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -111.84 120.39 41.79 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.176 -0.305 . . . . 1.38 110.176 179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -79.2 122.16 25.94 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.016 -0.538 . . . . 2.83 109.865 176.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -65.24 134.39 53.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.508 0.671 . . . . 1.72 111.044 -175.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -155.63 109.14 2.18 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.394 -0.821 . . . . 1.68 110.101 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_exo -53.94 -31.96 65.7 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.971 2.447 . . . . 0.42 113.498 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -69.51 -54.6 13.42 Favored 'General case' 0 C--O 1.24 0.564 0 CA-C-O 120.747 0.308 . . . . 2.21 110.549 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -68.43 -32.47 72.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 3.24 109.854 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 23.3 t -55.18 -46.39 75.81 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.71 -0.677 . . . . 1.11 110.023 176.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.83 -31.48 67.26 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.416 -0.897 . . . . 0.19 112.1 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 695' ' ' GLN . 20.7 t70 -62.1 -45.95 91.22 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.392 -0.596 . . . . 1.54 109.392 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.92 -35.4 72.25 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.788 -0.642 . . . . 1.35 111.11 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . 0.43 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 8.9 m-85 -69.55 -34.04 73.65 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.948 -0.301 . . . . 1.33 111.364 177.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 11.5 p -73.59 -32.12 63.95 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.359 -0.536 . . . . 0.31 110.011 176.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 691' ' ' ASP . 85.4 mm-40 -64.64 -44.07 91.64 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.44 -0.578 . . . . 2.13 109.44 171.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.99 91.84 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.64 -0.709 . . . . 0.18 111.211 177.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -67.16 -37.18 83.33 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.939 0.399 . . . . 0.2 110.491 178.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -61.22 -44.97 96.42 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.753 -0.658 . . . . 1.84 109.373 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -69.16 -29.75 67.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.993 -0.549 . . . . 0.21 110.914 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.18 -45.84 65.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.015 -0.539 . . . . 0.16 110.796 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.4 ptt? -70.94 -26.37 63.16 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.759 -0.376 . . . . 0.76 110.382 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -73.49 -24.65 60.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.041 0.448 . . . . 2.58 110.893 174.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -94.28 11.5 30.13 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.087 -0.506 . . . . 0.45 110.252 174.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . 0.51 ' O ' ' HD2' ' A' ' 628' ' ' PRO . 1.0 OUTLIER 53.57 42.11 31.97 Favored 'General case' 0 N--CA 1.46 0.073 0 CA-C-N 115.009 -0.996 . . . . 2.61 111.513 179.351 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 1.4 mmpp? -108.45 80.97 1.4 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.527 -0.76 . . . . 1.59 109.019 174.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -54.68 -58.72 12.13 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.628 -0.715 . . . . 0.47 113.7 -175.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . 0.457 ' HB2' ' HB2' ' A' ' 651' ' ' ASP . 42.0 ttt180 -52.98 -42.23 65.35 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.841 0.353 . . . . 3.9 111.382 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.64 -47.54 78.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.126 -0.488 . . . . 1.02 110.23 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.14 -44.07 83.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.962 -0.563 . . . . 0.21 110.585 178.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -61.75 -50.8 70.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.017 -0.538 . . . . 1.6 110.692 178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -58.74 -52.64 64.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.547 -0.297 . . . . 1.83 111.521 -179.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -59.43 -36.33 75.71 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 121.134 -0.227 . . . . 0.44 111.446 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -68.45 -39.28 81.51 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.999 0.428 . . . . 2.95 109.896 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . 0.482 HE22 ' HA ' ' A' ' 647' ' ' MET . 29.5 tt0 -67.19 -26.36 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.973 -0.558 . . . . 1.98 110.554 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.57 -31.5 28.99 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.471 -0.937 . . . . 1.67 108.471 -178.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.67 -49.16 74.28 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.458 -0.792 . . . . 0.25 110.001 173.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -64.59 -39.65 94.11 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 115.992 -0.549 . . . . 2.16 109.99 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.56 -45.62 88.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.755 0.312 . . . . 2.2 110.473 176.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.95 -48.39 78.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.002 -0.545 . . . . 0.37 110.886 179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -74.64 -34.61 62.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.321 -0.399 . . . . 0.47 111.888 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -73.74 -35.08 65.01 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.618 0.246 . . . . 0.64 111.559 -178.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -84.34 -59.92 2.24 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.92 -0.312 . . . . 2.38 111.103 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 72.1 mtm 38.69 45.27 0.89 Allowed 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.57 0.544 . . . . 2.42 111.842 -175.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -139.15 72.02 1.39 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.167 -0.469 . . . . 4.88 110.96 -176.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 C--O 1.25 1.119 0 N-CA-C 109.523 -0.547 . . . . 5.52 109.523 175.469 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 111.6 -0.6 . . . . 15.53 111.6 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 8.0 t -128.78 -35.31 1.9 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 117.068 0.434 . . . . 14.35 111.304 -178.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -84.58 38.67 0.7 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.075 0.464 . . . . 13.37 111.541 -177.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 61.9 mtm 63.44 66.72 0.68 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.573 -0.739 . . . . 13.3 112.06 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.54 ' HA ' ' HB3' ' A' ' 657' ' ' ASP . 55.8 m -93.71 141.87 24.36 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.552 -0.749 . . . . 9.26 109.863 174.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.85 72.36 3.21 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.785 2.323 . . . . 7.14 112.498 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -79.76 -31.59 40.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.999 -0.546 . . . . 7.07 109.757 176.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -104.62 70.13 0.92 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.645 0.736 . . . . 8.95 109.078 176.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 7.1 p -102.86 51.39 0.8 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.678 -0.692 . . . . 4.38 110.43 -178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -116.79 -10.71 11.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.937 -0.574 . . . . 4.67 111.429 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -77.56 -32.81 54.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.67 -0.241 . . . . 5.22 111.239 -174.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . 0.484 ' O ' ' HG ' ' A' ' 638' ' ' LEU . 66.7 p-90 -65.39 -28.74 69.48 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 121.078 -0.249 . . . . 3.28 111.158 -175.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.489 HD12 ' H ' ' A' ' 635' ' ' LEU . 5.9 mp -62.47 -43.61 98.4 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.147 0.498 . . . . 3.12 110.026 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.479 ' O ' ' HD1' ' A' ' 640' ' ' TRP . 11.1 mm-40 -75.75 -40.86 54.65 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.43 -0.805 . . . . 5.37 110.207 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -54.5 -48.65 71.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.723 -0.672 . . . . 2.89 111.18 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 634' ' ' TRP . 66.1 mt -70.57 -11.92 61.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 2.25 111.791 -177.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -87.21 -24.51 24.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.927 0.394 . . . . 5.62 110.775 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . 0.479 ' HD1' ' O ' ' A' ' 636' ' ' GLU . 68.5 m95 -110.62 9.38 22.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.142 0.496 . . . . 7.07 110.01 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . 0.632 ' OH ' ' HB2' ' A' ' 714' ' ' GLN . 9.0 t80 -78.71 130.28 35.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.73 -0.668 . . . . 5.5 112.25 -167.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . 0.603 ' HA ' ' OE1' ' A' ' 717' ' ' GLU . 47.5 t-20 -166.94 87.04 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.335 -0.848 . . . . 4.9 108.985 173.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . 0.439 HG21 HE21 ' A' ' 714' ' ' GLN . 33.3 p -107.18 -75.91 0.62 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.27 -0.423 . . . . 4.46 111.773 -174.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . 71.26 -55.9 0.64 Allowed 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.749 0.819 . . . . 5.98 112.508 178.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.63 -49.03 3.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.297 -0.252 . . . . 8.01 111.639 -177.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -65.46 110.02 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.435 0.635 . . . . 8.8 110.709 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 66.8 mtt -87.22 101.83 13.89 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.835 -0.62 . . . . 12.08 110.226 -178.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 40.9 p -89.98 73.14 7.4 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.268 0.556 . . . . 10.68 110.899 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -97.56 32.97 2.13 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.769 -0.65 . . . . 13.39 109.979 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 4.0 p -80.93 61.96 4.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.828 -0.624 . . . . 12.15 111.095 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -163.6 145.91 9.67 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.572 -0.74 . . . . 13.19 109.262 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -120.61 18.11 12.01 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.828 -0.349 . . . . 15.45 111.247 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 130.72 73.91 0.12 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.612 -0.804 . . . . 13.46 112.204 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -66.59 -59.67 6.96 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.254 -0.498 . . . . 12.43 112.741 177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 655' ' ' GLU . 0.5 OUTLIER -104.21 114.98 29.59 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.67 0.748 . . . . 10.98 111.253 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -112.14 36.48 3.33 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.596 -0.89 . . . . 11.8 108.596 175.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . 0.54 ' HB3' ' HA ' ' A' ' 627' ' ' SER . 25.7 t70 -161.72 154.11 19.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.357 -1.292 . . . . 7.39 108.791 -177.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 144.62 -142.65 11.14 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.061 -0.815 . . . . 5.88 111.061 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 5.1 tmm? -106.2 93.22 4.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.33 0.586 . . . . 3.98 109.95 177.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.51 ' NE2' ' H ' ' A' ' 660' ' ' GLN . 1.0 OUTLIER -123.9 31.11 5.94 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.679 -0.691 . . . . 6.1 110.44 174.111 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.94 -70.7 0.24 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.638 -0.875 . . . . 3.86 108.638 174.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -126.89 87.32 56.87 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.415 -0.957 . . . . 3.19 108.415 169.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -79.08 120.37 4.57 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 121.834 1.689 . . . . 0.97 112.425 -177.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . 0.46 ' O ' HD13 ' A' ' 668' ' ' LEU . 15.1 ptt180 -79.99 -21.13 43.99 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.589 -0.444 . . . . 3.16 110.897 177.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . 0.458 ' HB3' ' HB3' ' A' ' 699' ' ' ALA . 6.1 p90 -64.13 -29.74 70.85 Favored 'General case' 0 N--CA 1.461 0.077 0 C-N-CA 120.853 -0.339 . . . . 0.81 111.509 -177.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 61.8 mtt -70.04 -42.17 73.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.954 0.406 . . . . 1.17 109.992 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 57.9 ttp -68.63 -43.82 75.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.962 -0.563 . . . . 1.2 110.118 -179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 664' ' ' ARG . 10.1 mp -66.47 -35.8 81.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.548 -0.751 . . . . 0.82 110.832 179.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.3 -33.87 59.06 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 109.956 -0.387 . . . . 0.23 109.956 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -62.2 -45.52 93.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.751 -0.659 . . . . 3.33 109.617 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . 0.413 ' O ' HD23 ' A' ' 675' ' ' LEU . 29.7 tt0 -66.03 -43.84 86.41 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.952 -0.567 . . . . 1.89 109.582 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.402 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -56.33 -41.55 76.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.23 111.115 175.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -64.78 -40.32 95.06 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.827 -0.624 . . . . 1.76 110.354 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . 0.425 ' HB3' ' HG ' ' A' ' 682' ' ' LEU . 71.5 mtm -70.17 -25.85 63.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.79 110.72 177.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.538 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.9 mm? -84.38 -18.58 35.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.942 0.401 . . . . 0.53 110.395 177.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -82.81 -50.6 8.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.173 -0.467 . . . . 0.82 111.13 178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 33.6 p -88.43 -28.2 21.05 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.06 0.457 . . . . 1.45 111.365 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 97.02 -164.08 22.45 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.347 -0.701 . . . . 1.4 111.347 -177.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 159.81 -170.91 36.07 Favored Glycine 0 N--CA 1.443 -0.883 0 C-N-CA 120.765 -0.731 . . . . 2.07 111.411 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -83.91 82.88 8.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.064 0.459 . . . . 5.05 109.994 179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 127.91 -31.05 3.8 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 111.361 -0.696 . . . . 1.41 111.361 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . 0.425 ' HG ' ' HB3' ' A' ' 674' ' ' MET . 3.2 mm? -98.57 138.09 36.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.316 -0.624 . . . . 1.38 109.316 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . 0.464 ' O ' HD13 ' A' ' 675' ' ' LEU . 59.4 mm-40 -97.96 154.51 17.63 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.773 0.32 . . . . 2.83 110.526 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 14.0 ptmm? -90.23 89.49 7.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.873 0.845 . . . . 1.72 109.633 176.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -116.75 108.06 45.37 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.23 -0.896 . . . . 1.68 109.922 -176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.28 -38.96 73.25 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.221 2.614 . . . . 0.42 113.501 -178.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -72.86 -43.29 62.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.847 0.356 . . . . 2.21 110.178 -176.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 688' ' ' ARG . 0.0 OUTLIER -70.03 -40.91 74.89 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.966 -0.753 . . . . 3.24 108.966 -178.402 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 23.1 t -56.25 -54.08 49.56 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.371 -0.831 . . . . 1.11 110.657 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.68 -32.8 79.06 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.243 -0.98 . . . . 0.19 112.237 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.479 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 32.8 t70 -64.0 -43.43 95.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.05 0.452 . . . . 1.54 109.839 177.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 33.9 mt -68.88 -37.58 79.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.34 -0.391 . . . . 1.35 110.906 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . 0.402 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 9.0 m-85 -66.46 -36.97 84.09 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.931 -0.308 . . . . 1.33 110.94 177.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 12.3 p -73.0 -37.38 67.01 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.752 -0.379 . . . . 0.31 110.601 178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 26.5 mt-30 -65.16 -39.92 93.62 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.253 0.549 . . . . 2.13 109.673 173.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.96 -39.59 92.65 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.761 -0.654 . . . . 0.18 110.556 175.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.78 84.45 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.836 0.35 . . . . 0.2 110.534 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 701' ' ' MET . 28.1 tt0 -57.24 -51.95 67.27 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.32 0.581 . . . . 1.84 109.548 173.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 665' ' ' TYR . . . -61.6 -31.77 71.86 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.789 -0.641 . . . . 0.21 111.179 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -71.07 -48.82 50.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.081 -0.509 . . . . 0.16 110.554 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 698' ' ' GLU . 22.2 ptp -65.25 -31.33 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.305 -0.407 . . . . 0.76 110.611 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -76.78 -16.4 59.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.002 0.429 . . . . 2.58 111.254 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -103.09 13.99 32.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.233 -0.439 . . . . 0.45 111.256 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 22.6 mmt 64.58 34.82 9.65 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.344 0.592 . . . . 2.61 111.489 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -113.98 72.17 0.77 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.774 -0.648 . . . . 1.59 110.09 177.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -53.73 -48.34 61.82 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.59 -0.732 . . . . 0.47 113.472 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -60.85 -39.93 90.93 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 117.557 0.678 . . . . 3.9 110.999 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.29 -46.36 89.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.967 -0.382 . . . . 1.02 109.967 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.6 -44.91 90.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.76 -0.655 . . . . 0.21 110.572 176.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -61.44 -49.93 74.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.51 -0.768 . . . . 1.6 110.276 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -59.38 -52.72 64.4 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 115.903 -0.59 . . . . 1.83 111.311 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -58.2 -34.8 70.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.969 0.359 . . . . 0.44 111.969 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . 0.414 ' O ' ' HG3' ' A' ' 717' ' ' GLU . 12.5 m-85 -67.83 -42.03 82.08 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 120.165 -0.614 . . . . 2.95 110.336 173.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . 0.632 ' HB2' ' OH ' ' A' ' 641' ' ' TYR . 30.7 tt0 -63.54 -29.78 70.99 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.378 0.609 . . . . 1.98 110.571 178.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.4 tptm -83.45 -33.78 25.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.545 -0.752 . . . . 1.67 109.132 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -62.53 -47.53 83.53 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.075 0.464 . . . . 0.25 110.039 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . 0.603 ' OE1' ' HA ' ' A' ' 642' ' ' ASN . 40.5 mt-10 -59.94 -46.62 88.8 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.769 -0.65 . . . . 2.16 110.443 176.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -58.42 -44.19 88.98 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.282 -0.417 . . . . 2.2 110.406 176.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . 0.576 ' O ' ' HG2' ' A' ' 723' ' ' MET . . . -53.03 -53.93 42.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.37 111.096 178.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -70.43 -37.26 74.35 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.028 0.381 . . . . 0.47 112.028 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -74.63 -35.81 62.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.931 0.396 . . . . 0.64 111.684 -175.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -70.33 -11.19 60.74 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.103 -0.499 . . . . 2.38 111.57 -176.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . 0.576 ' HG2' ' O ' ' A' ' 719' ' ' ALA . 21.5 mmt -77.96 6.92 6.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.909 0.385 . . . . 2.42 111.633 -177.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.61 -18.81 58.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.33 0.586 . . . . 4.88 109.637 171.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.353 -0.832 . . . . 5.52 109.733 177.743 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 112.112 -0.395 . . . . 15.53 112.112 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 39.1 t -77.02 107.67 9.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.094 0.473 . . . . 14.35 110.061 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -122.54 89.51 3.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.855 -0.611 . . . . 13.37 109.656 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 53.9 ttm 67.27 77.29 0.27 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.71 -0.677 . . . . 13.3 110.239 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 69.9 m -101.35 118.28 60.36 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.521 -0.763 . . . . 9.26 110.616 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . 0.803 ' HA ' ' SG ' ' A' ' 631' ' ' CYS . 95.3 Cg_endo -76.53 54.42 4.36 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.268 2.646 . . . . 7.14 112.488 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -67.18 -42.17 84.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.579 -0.737 . . . . 7.07 111.561 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -144.43 3.72 1.16 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.333 -0.394 . . . . 8.95 111.992 -177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . 0.803 ' SG ' ' HA ' ' A' ' 628' ' ' PRO . 6.2 p -84.78 102.42 13.02 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.778 -0.823 . . . . 4.38 108.778 171.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -116.13 15.31 16.04 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.193 -0.458 . . . . 4.67 110.612 -176.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -64.35 -31.8 73.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.062 -0.517 . . . . 5.22 110.958 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . 0.493 ' HA ' ' HB3' ' A' ' 637' ' ' ALA . 63.1 p-90 -71.23 -20.27 62.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 3.28 111.389 -176.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.06 -43.03 99.72 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.55 0.691 . . . . 3.12 109.44 174.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -75.58 -43.96 45.64 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.063 -0.971 . . . . 5.37 110.009 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . 0.493 ' HB3' ' HA ' ' A' ' 634' ' ' TRP . . . -57.95 -39.76 78.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.636 -0.711 . . . . 2.89 111.649 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.47 -24.04 67.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.353 -0.385 . . . . 2.25 111.465 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -79.73 -13.45 59.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.03 0.443 . . . . 5.62 110.268 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 68.8 m95 -116.79 9.0 13.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.756 -0.656 . . . . 7.07 110.063 177.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -98.79 75.87 2.14 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.895 -0.593 . . . . 5.5 110.447 -173.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -83.01 96.81 8.45 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.062 -0.517 . . . . 4.9 110.459 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 18.7 p -130.16 125.47 35.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.151 -0.477 . . . . 4.46 110.871 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . 0.52 ' HB2' ' HG3' ' A' ' 717' ' ' GLU . . . -121.22 -69.45 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.197 -0.456 . . . . 5.98 110.278 175.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 92.1 mt -80.75 -23.71 39.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.646 0.26 . . . . 8.01 111.054 -178.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -75.31 93.27 2.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.31 -0.404 . . . . 8.8 110.142 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . 0.41 ' HA ' ' OE1' ' A' ' 714' ' ' GLN . 71.0 mtm -66.66 102.47 0.92 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.866 -0.607 . . . . 12.08 110.145 178.554 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 7.0 p -86.59 81.97 8.07 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.653 -0.703 . . . . 10.68 111.951 -176.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -82.4 52.37 2.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.264 -0.643 . . . . 13.39 109.264 174.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 38.8 m -90.59 30.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.657 -0.701 . . . . 12.15 111.421 -172.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -148.77 129.09 13.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.286 -0.416 . . . . 13.19 110.179 177.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -93.15 40.64 1.07 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.065 -0.516 . . . . 15.45 111.289 -177.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 75.49 52.27 6.73 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.828 -0.701 . . . . 13.46 112.564 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -105.59 -128.4 6.14 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.831 -0.7 . . . . 12.43 111.845 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 57.23 84.05 0.1 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.638 0.732 . . . . 10.98 111.924 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -100.07 79.5 2.19 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.623 -0.717 . . . . 11.8 109.238 175.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.68 -166.22 1.52 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.384 -0.825 . . . . 7.39 110.433 -178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -72.47 -46.51 32.35 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.706 -0.759 . . . . 5.88 112.484 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 14.1 tpt 53.37 85.26 0.05 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.28 0.562 . . . . 3.98 110.048 -173.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -78.39 56.11 1.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.65 -0.705 . . . . 6.1 112.415 -171.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 25.7 t0 64.92 -75.74 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 115.084 -0.962 . . . . 3.86 112.511 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -100.81 106.71 45.49 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.553 0.216 . . . . 3.19 110.524 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.75 121.85 5.22 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.185 1.924 . . . . 0.97 112.526 -178.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . 0.454 ' O ' HD13 ' A' ' 668' ' ' LEU . 6.2 ptm180 -79.1 -32.61 44.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.851 0.358 . . . . 3.16 110.826 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -62.63 -32.16 73.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.414 -0.357 . . . . 0.81 111.194 -176.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 55.5 mtt -73.28 -30.96 63.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.582 -0.281 . . . . 1.17 110.388 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 10.6 tmm? -72.89 -45.34 58.74 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.609 -0.886 . . . . 1.2 108.609 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.454 HD13 ' O ' ' A' ' 664' ' ' ARG . 9.6 mp -60.33 -37.6 81.13 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.618 -0.719 . . . . 0.82 110.374 176.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.09 -33.69 57.0 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.23 110.589 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -64.4 -39.36 93.7 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.232 -0.655 . . . . 3.33 109.232 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . 0.415 ' O ' HD23 ' A' ' 675' ' ' LEU . 20.3 tp10 -63.67 -49.4 73.3 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.309 -0.86 . . . . 1.89 108.839 177.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.51 73.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.411 -0.813 . . . . 0.23 111.144 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -65.94 -39.57 90.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.042 -0.527 . . . . 1.76 110.307 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 66.4 mtm -74.81 -18.13 60.51 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.31 -0.405 . . . . 0.79 110.615 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.598 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.6 mm? -85.07 -28.51 25.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.751 0.31 . . . . 0.53 110.591 175.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -83.63 -50.92 7.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.48 -0.327 . . . . 0.82 111.031 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 74.2 p -89.17 -13.09 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.983 0.42 . . . . 1.45 111.537 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 90.14 -172.01 37.76 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.54 -0.838 . . . . 1.4 111.309 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 163.9 -172.59 39.8 Favored Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.201 -1.0 . . . . 2.07 112.274 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -67.79 92.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.908 0.385 . . . . 5.05 110.869 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 90.74 7.5 66.45 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.882 -0.675 . . . . 1.41 112.38 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -106.43 120.84 42.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.061 0.458 . . . . 1.38 110.799 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -80.7 123.25 28.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.705 -0.679 . . . . 2.83 109.902 177.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 21.1 ptmt -71.38 125.9 28.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.266 0.555 . . . . 1.72 110.114 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -151.37 105.22 2.94 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.877 -0.601 . . . . 1.68 110.215 -175.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_exo -52.2 -32.89 52.11 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 123.344 2.696 . . . . 0.42 113.712 -178.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.91 -51.79 36.2 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 109.21 -0.663 . . . . 2.21 109.21 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . 0.435 ' HD2' HD11 ' A' ' 675' ' ' LEU . 15.3 ttm180 -66.75 -36.88 83.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.604 -0.725 . . . . 3.24 109.636 -177.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 20.7 m -54.56 -52.28 62.58 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.522 -0.763 . . . . 1.11 110.492 176.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.85 -34.85 83.67 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.308 -0.948 . . . . 0.19 112.141 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -62.36 -44.32 96.75 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.29 0.567 . . . . 1.54 109.831 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 55.5 mt -73.93 -36.37 64.67 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.89 -0.595 . . . . 1.35 111.137 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -65.95 -37.85 87.08 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.934 -0.306 . . . . 1.33 110.812 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 18.2 p -73.74 -35.66 65.06 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.731 -0.388 . . . . 0.31 110.287 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . 0.419 ' HG3' HD23 ' A' ' 668' ' ' LEU . 9.0 tp-100 -66.5 -39.35 88.67 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.259 -0.645 . . . . 2.13 109.259 175.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.77 95.71 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.88 -0.6 . . . . 0.18 110.825 175.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.34 -34.95 79.12 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.941 0.401 . . . . 0.2 109.957 178.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.85 -45.09 94.19 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.799 -0.637 . . . . 1.84 109.632 175.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -68.25 -28.32 67.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.21 110.777 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.79 -47.73 36.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.16 110.635 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -69.96 -29.89 67.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.76 110.242 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -69.28 -31.0 69.22 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.602 -0.518 . . . . 2.58 109.602 175.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -83.58 9.14 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.885 -0.598 . . . . 0.45 111.091 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 62.3 mtt 67.78 31.26 5.95 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.133 -0.485 . . . . 2.61 110.988 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -119.62 78.12 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.424 0.63 . . . . 1.59 110.823 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -62.29 -33.06 84.89 Favored Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.067 -0.97 . . . . 0.47 114.01 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -62.47 -49.07 76.86 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 117.537 0.669 . . . . 3.9 109.959 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.98 -45.62 91.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.449 -0.796 . . . . 1.02 110.259 177.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.64 -41.04 80.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.715 -0.675 . . . . 0.21 110.984 177.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -62.26 -51.97 65.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 1.6 110.205 177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -55.89 -56.07 25.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.16 -0.473 . . . . 1.83 110.88 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -61.87 -35.62 78.85 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.351 0.501 . . . . 0.44 112.351 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -69.69 -40.72 76.18 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 119.461 -0.896 . . . . 2.95 109.724 176.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . 0.41 ' OE1' ' HA ' ' A' ' 647' ' ' MET . 7.5 tt0 -64.2 -25.93 68.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.54 0.686 . . . . 1.98 109.86 178.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -81.47 -35.09 30.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.167 -0.924 . . . . 1.67 108.646 -179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -68.6 -40.28 80.52 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.501 -0.772 . . . . 0.25 110.432 174.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . 0.52 ' HG3' ' HB2' ' A' ' 644' ' ' ALA . 16.6 tp10 -66.02 -43.87 86.39 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.34 -0.846 . . . . 2.16 108.724 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -64.6 -36.73 85.18 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 116.141 -0.481 . . . . 2.2 111.366 174.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.91 -51.3 68.08 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.844 0.355 . . . . 0.37 110.764 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 27.3 m0 -77.19 -28.57 53.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.47 111.79 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -69.56 -39.82 77.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.98 0.419 . . . . 0.64 111.073 177.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -79.07 -59.05 2.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.766 -0.652 . . . . 2.38 110.805 -176.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 71.3 mtm 41.62 43.42 2.34 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.131 0.491 . . . . 2.42 111.156 -175.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -144.22 163.34 33.92 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.817 -0.629 . . . . 4.88 109.578 -172.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.115 -0.945 . . . . 5.52 110.603 178.615 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 112.082 -0.407 . . . . 15.53 112.082 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 5.3 p -135.65 51.08 2.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.923 0.392 . . . . 14.35 111.531 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -83.91 -13.75 52.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.318 0.58 . . . . 13.37 109.458 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.505 ' SD ' ' HA ' ' A' ' 655' ' ' GLU . 16.9 tpt -152.55 70.55 0.9 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.456 -0.793 . . . . 13.3 109.775 176.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 17.8 m -126.69 74.22 75.11 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.058 -0.519 . . . . 9.26 110.671 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . 0.598 ' HA ' ' SG ' ' A' ' 631' ' ' CYS . 90.0 Cg_endo -83.09 49.75 3.13 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.735 2.29 . . . . 7.14 112.446 -177.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -60.16 -41.47 92.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 7.07 111.254 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -109.13 14.51 23.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.759 0.314 . . . . 8.95 111.56 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . 0.598 ' SG ' ' HA ' ' A' ' 628' ' ' PRO . 5.2 p -146.59 51.66 1.12 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.278 0.561 . . . . 4.38 110.713 -178.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -116.28 24.82 11.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.527 0.679 . . . . 4.67 110.021 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -72.54 -19.55 61.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.123 -0.944 . . . . 5.22 110.693 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . 0.448 ' CD2' ' HB2' ' A' ' 701' ' ' MET . 60.0 p-90 -64.87 -27.65 69.01 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.079 -0.51 . . . . 3.28 111.569 -175.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.66 -41.07 98.87 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.523 -0.547 . . . . 3.12 109.523 175.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.508 ' HA ' ' HB3' ' A' ' 639' ' ' HIS . 31.7 mm-40 -76.27 -31.77 58.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.679 -0.692 . . . . 5.37 110.664 178.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 710' ' ' ASN . . . -54.88 -43.65 73.36 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.194 -0.457 . . . . 2.89 111.116 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 648' ' ' THR . 11.2 mp -85.49 -10.62 55.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 2.25 111.259 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 636' ' ' GLU . 11.5 t-160 -84.43 -40.73 17.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.404 -0.362 . . . . 5.62 110.84 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . 0.499 ' HD1' ' O ' ' A' ' 636' ' ' GLU . 66.1 m95 -69.71 -31.26 69.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.457 -0.338 . . . . 7.07 111.516 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . 0.439 ' CZ ' ' HG3' ' A' ' 714' ' ' GLN . 39.4 t80 -127.01 112.94 15.82 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.028 -0.269 . . . . 5.5 111.041 -176.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . 0.536 ' HA ' ' OE2' ' A' ' 717' ' ' GLU . 2.9 t-20 -161.7 101.1 1.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.772 -0.649 . . . . 4.9 109.821 173.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 1.4 m -87.65 -55.66 3.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.058 -0.519 . . . . 4.46 110.818 -177.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -127.65 142.18 51.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.097 -0.501 . . . . 5.98 110.502 -176.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 84.3 mt 62.73 91.59 0.07 Allowed 'General case' 0 C--O 1.233 0.208 0 O-C-N 123.862 0.726 . . . . 8.01 111.16 177.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -74.76 81.6 2.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.568 -0.742 . . . . 8.8 110.544 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 50.6 ttm -79.84 -70.44 0.51 Allowed 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.297 -0.631 . . . . 12.08 109.297 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . 0.42 ' HA ' HD23 ' A' ' 638' ' ' LEU . 4.2 m 46.97 68.84 0.56 Allowed 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.717 0.635 . . . . 10.68 111.518 176.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -74.93 93.19 2.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.022 0.439 . . . . 13.39 110.221 -176.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 56.4 m -80.97 65.43 6.1 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.093 -0.503 . . . . 12.15 110.373 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 19.4 t70 60.41 73.83 0.47 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.505 -0.771 . . . . 13.19 111.072 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -106.61 98.09 7.8 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.832 -0.622 . . . . 15.45 110.089 175.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 76.9 18.33 78.92 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.958 -0.639 . . . . 13.46 112.17 -178.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -87.79 -93.4 0.99 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.977 -0.63 . . . . 12.43 112.463 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.505 ' HA ' ' SD ' ' A' ' 626' ' ' MET . 41.9 mt-10 57.75 76.68 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 122.615 0.366 . . . . 10.98 111.9 -177.279 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -161.58 40.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.256 0.55 . . . . 11.8 110.396 179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . 0.493 ' HB3' ' HA ' ' A' ' 626' ' ' MET . 29.4 t70 -72.93 79.55 1.17 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.371 -0.603 . . . . 7.39 109.371 176.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -130.02 -21.26 1.23 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.7 -0.762 . . . . 5.88 113.325 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . 0.548 ' SD ' ' HB1' ' A' ' 703' ' ' ALA . 13.5 tpt 58.03 90.82 0.04 OUTLIER 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.463 0.649 . . . . 3.98 111.321 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.81 142.23 58.3 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.63 -0.714 . . . . 6.1 109.883 175.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.23 -27.86 69.29 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.652 -0.704 . . . . 3.86 110.761 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -105.36 116.21 60.7 Favored Pre-proline 0 C--N 1.32 -0.713 0 N-CA-C 108.843 -0.799 . . . . 3.19 108.843 174.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -67.78 121.49 8.55 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 121.915 1.744 . . . . 0.97 112.252 -173.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . 0.478 ' O ' HD13 ' A' ' 668' ' ' LEU . 34.7 ttp85 -77.99 -34.03 51.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.82 -0.627 . . . . 3.16 110.743 -178.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . 0.589 ' CE2' ' HG3' ' A' ' 666' ' ' MET . 32.5 p90 -65.36 -32.0 73.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.932 -0.576 . . . . 0.81 112.152 -174.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . 0.589 ' HG3' ' CE2' ' A' ' 665' ' ' TYR . 48.8 mtt -70.75 -39.51 73.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.585 0.231 . . . . 1.17 111.133 -177.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -69.78 -42.77 73.37 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 109.079 -0.712 . . . . 1.2 109.079 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 664' ' ' ARG . 8.9 mp -63.57 -36.2 83.01 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.579 -0.737 . . . . 0.82 110.709 177.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.14 -30.9 55.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.902 0.382 . . . . 0.23 110.159 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -62.73 -46.39 88.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.029 -0.532 . . . . 3.33 110.189 175.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.48 -41.5 93.23 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.707 -0.479 . . . . 1.89 109.707 177.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -56.67 -40.97 76.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.063 0.458 . . . . 0.23 110.941 175.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -63.73 -44.11 94.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.894 -0.594 . . . . 1.76 110.4 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.8 mtm -67.91 -29.74 68.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.871 -0.604 . . . . 0.79 111.09 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.9 mm? -82.23 -31.11 30.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.685 0.278 . . . . 0.53 111.128 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . 0.403 ' O ' ' HE3' ' A' ' 684' ' ' LYS . 61.8 t80 -72.14 -45.68 59.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.406 -0.361 . . . . 0.82 110.636 -178.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 39.6 p -87.88 -33.07 18.65 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.327 -0.397 . . . . 1.45 111.887 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 73.05 -136.07 22.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.916 -0.659 . . . . 1.4 111.735 -177.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 86.2 -65.44 3.85 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.801 -0.714 . . . . 2.07 113.339 173.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -75.81 65.95 2.01 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.76 0.314 . . . . 5.05 111.777 -175.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 70.65 5.88 57.52 Favored Glycine 0 C--N 1.331 0.297 0 CA-C-N 116.171 -0.468 . . . . 1.41 112.406 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 79.5 mt -113.79 132.03 56.01 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.469 0.176 . . . . 1.38 110.729 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -79.64 126.4 30.86 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.587 -0.894 . . . . 2.83 108.587 172.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 22.2 ptmt -61.55 126.27 26.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.255 0.55 . . . . 1.72 110.183 -177.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -134.45 98.07 14.04 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.754 -0.657 . . . . 1.68 110.514 -175.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . 0.4 ' HB3' ' O ' ' A' ' 719' ' ' ALA . 54.3 Cg_exo -55.53 -28.02 62.56 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.945 2.43 . . . . 0.42 113.3 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -67.78 -54.62 17.75 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 120.722 0.296 . . . . 2.21 110.701 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -67.74 -32.79 73.65 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.729 -0.471 . . . . 3.24 109.729 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 28.8 m -56.32 -49.05 75.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.949 -0.568 . . . . 1.11 110.739 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.72 -32.74 70.71 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 120.25 -0.976 . . . . 0.19 112.256 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 35.4 t70 -64.43 -41.56 96.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.272 0.558 . . . . 1.54 109.689 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 42.3 mt -71.48 -36.88 71.29 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.879 -0.601 . . . . 1.35 111.041 179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -70.98 -32.76 69.7 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.947 -0.301 . . . . 1.33 111.545 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 7.3 p -72.47 -37.41 68.48 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.579 -0.448 . . . . 0.31 109.975 176.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 28.0 mt-30 -64.18 -41.54 97.06 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.324 -0.621 . . . . 2.13 109.324 173.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.84 94.52 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.798 -0.637 . . . . 0.18 111.278 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.38 90.78 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.2 110.348 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 701' ' ' MET . 19.3 tt0 -59.76 -45.96 90.63 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.758 -0.655 . . . . 1.84 109.522 175.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -69.87 -27.42 64.81 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.768 -0.651 . . . . 0.21 110.922 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.61 -46.98 51.49 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.176 -0.465 . . . . 0.16 110.891 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . 0.463 ' HG2' ' O ' ' A' ' 698' ' ' GLU . 25.1 ptt? -67.46 -27.02 66.67 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.647 -0.501 . . . . 0.76 109.647 177.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -72.49 -31.04 65.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.183 -0.917 . . . . 2.58 110.525 176.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . 0.548 ' HB1' ' SD ' ' A' ' 659' ' ' MET . . . -95.26 17.69 13.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.466 -0.788 . . . . 0.45 111.371 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 49.2 mtt 64.27 29.78 13.65 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.035 -0.53 . . . . 2.61 111.315 176.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -114.47 85.65 2.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.788 0.327 . . . . 1.59 110.846 -176.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -57.75 -54.35 38.07 Favored Glycine 0 CA--C 1.521 0.436 0 CA-C-N 115.936 -0.574 . . . . 0.47 113.76 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -62.03 -36.16 80.75 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 117.066 0.433 . . . . 3.9 111.214 -176.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.6 -43.72 96.1 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.788 -0.449 . . . . 1.02 109.788 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -60.07 -40.72 90.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.584 -0.734 . . . . 0.21 110.339 176.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . 0.475 ' HB2' ' HB1' ' A' ' 637' ' ' ALA . 22.2 t-20 -61.4 -50.71 71.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.219 -0.446 . . . . 1.6 110.474 176.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -55.76 -56.2 23.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.132 -0.485 . . . . 1.83 111.083 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -62.14 -32.2 72.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.248 -0.433 . . . . 0.44 111.785 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -70.68 -39.19 73.68 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.383 -0.599 . . . . 2.95 109.383 176.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . 0.439 ' HG3' ' CZ ' ' A' ' 641' ' ' TYR . 7.7 tt0 -64.53 -28.22 69.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.29 -0.868 . . . . 1.98 110.22 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -87.88 -25.3 23.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.651 -0.704 . . . . 1.67 109.266 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -67.35 -46.94 71.9 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.907 -0.588 . . . . 0.25 109.679 173.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . 0.536 ' OE2' ' HA ' ' A' ' 642' ' ' ASN . 93.1 mt-10 -61.69 -44.98 95.89 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.829 -0.623 . . . . 2.16 109.901 175.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -54.76 -48.19 72.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.977 -0.556 . . . . 2.2 110.69 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 686' ' ' PRO . . . -60.57 -44.88 95.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.575 -0.739 . . . . 0.37 111.767 -178.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -78.35 -26.89 46.87 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.277 -0.569 . . . . 0.47 111.505 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -72.93 -22.55 60.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.237 0.541 . . . . 0.64 110.135 174.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . 0.426 ' HA ' ' HB2' ' A' ' 725' ' ' GLU . 8.0 tp-100 -62.97 -22.61 66.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.495 -0.775 . . . . 2.38 110.852 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 41.8 mtm -71.25 -17.95 62.46 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.902 0.382 . . . . 2.42 110.705 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -123.51 26.44 7.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.178 0.513 . . . . 4.88 110.386 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 722' ' ' GLN . 13.3 tp10 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.532 -0.747 . . . . 5.52 109.707 -178.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 652' ' ' GLU . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 112.357 -0.297 . . . . 15.53 112.357 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 33.5 t -75.17 130.25 38.88 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.121 -0.696 . . . . 14.35 109.121 174.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 -116.86 109.53 17.2 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.015 0.436 . . . . 13.37 111.184 -175.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.468 ' O ' ' HD3' ' A' ' 628' ' ' PRO . 27.9 ttt -70.95 96.63 1.31 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.042 -0.725 . . . . 13.3 109.042 174.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.465 ' HB2' ' O ' ' A' ' 631' ' ' CYS . 5.3 m -76.98 108.88 7.47 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 115.994 -0.548 . . . . 9.26 111.05 -175.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . 0.468 ' HD3' ' O ' ' A' ' 626' ' ' MET . 85.2 Cg_endo -82.16 2.09 8.76 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.904 2.403 . . . . 7.14 112.01 -178.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.35 29.79 0.49 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.26 -0.882 . . . . 7.07 110.818 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 63.19 34.75 13.23 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.904 0.859 . . . . 8.95 109.899 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 627' ' ' SER . 63.2 m -119.74 65.46 0.81 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.435 -0.802 . . . . 4.38 109.501 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -112.49 -5.4 14.06 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.672 -0.695 . . . . 4.67 111.1 -177.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -75.58 -33.61 60.6 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.439 -0.346 . . . . 5.22 111.018 -176.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -71.9 -24.94 61.73 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.947 0.403 . . . . 3.28 110.243 -178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.06 -45.94 91.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.887 -0.597 . . . . 3.12 109.756 176.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -69.37 -36.41 76.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.625 -0.716 . . . . 5.37 110.271 177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -57.32 -46.02 83.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.752 -0.658 . . . . 2.89 110.689 178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.487 HD11 ' CE1' ' A' ' 713' ' ' TYR . 3.5 mm? -66.75 -23.11 66.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 2.25 111.488 178.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -79.35 -26.8 42.05 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.869 0.366 . . . . 5.62 110.584 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -111.66 9.25 21.01 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.873 0.368 . . . . 7.07 111.385 -178.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . 0.522 ' OH ' ' HA ' ' A' ' 714' ' ' GLN . 15.8 t80 -128.88 83.11 2.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.501 0.667 . . . . 5.5 109.845 176.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -90.0 108.46 19.74 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.496 -0.775 . . . . 4.9 110.895 -177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 6.9 p -98.06 -66.98 0.87 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.349 -0.387 . . . . 4.46 111.609 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -114.51 56.6 0.72 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.854 0.359 . . . . 5.98 110.949 -177.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 94.7 mt 57.41 55.21 5.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.58 -0.736 . . . . 8.01 110.374 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -71.54 95.82 1.45 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.68 -0.691 . . . . 8.8 111.04 -177.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 62.6 mtt -111.23 91.67 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.599 -0.728 . . . . 12.08 109.278 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 1.3 m -78.22 65.26 3.54 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.328 -0.851 . . . . 10.68 111.275 -175.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -110.63 69.81 0.7 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.814 -0.63 . . . . 13.39 109.748 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 52.2 t -151.11 99.59 2.69 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.894 -0.594 . . . . 12.15 110.285 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -85.49 39.21 0.77 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.041 0.448 . . . . 13.19 110.769 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . 0.467 ' O ' ' HA3' ' A' ' 623' ' ' GLY . 31.9 tt0 -81.55 103.13 11.06 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.683 -0.689 . . . . 15.45 109.394 177.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 68.96 66.27 2.33 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.793 -0.717 . . . . 13.46 111.653 -175.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -49.72 -69.6 1.01 Allowed Glycine 0 C--O 1.228 -0.221 0 O-C-N 123.786 0.345 . . . . 12.43 113.242 -176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -97.98 38.79 1.27 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.439 0.638 . . . . 10.98 109.973 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -79.26 84.71 5.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.985 -0.552 . . . . 11.8 109.918 178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . 0.413 ' HA ' ' SD ' ' A' ' 704' ' ' MET . 8.1 p-10 -96.7 -7.98 32.62 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.651 -0.704 . . . . 7.39 110.764 178.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -82.88 65.55 4.11 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 116.013 -0.539 . . . . 5.88 112.807 -177.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . 0.528 ' HE1' ' O ' ' A' ' 661' ' ' ASP . 1.2 tmt? -67.99 129.91 41.35 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.761 -0.459 . . . . 3.98 109.761 176.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -155.61 76.06 0.94 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.245 0.545 . . . . 6.1 110.714 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.528 ' O ' ' HE1' ' A' ' 659' ' ' MET . 4.1 p-10 -160.48 160.75 32.42 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.597 -0.729 . . . . 3.86 109.29 177.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.9 127.16 91.36 Favored Pre-proline 0 C--N 1.328 -0.333 0 N-CA-C 109.245 -0.65 . . . . 3.19 109.245 176.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -56.42 116.52 3.24 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.583 1.522 . . . . 0.97 112.024 -171.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -79.86 -32.59 40.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.27 -0.877 . . . . 3.16 110.913 -178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 705' ' ' LYS . 25.0 p90 -63.63 -27.91 69.55 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.621 -0.718 . . . . 0.81 111.559 -175.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 67.4 mtt -71.22 -41.74 69.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.028 0.442 . . . . 1.17 110.253 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 44.9 ttp -69.25 -45.12 70.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.732 -0.667 . . . . 1.2 109.701 179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 10.6 mp -64.87 -34.2 77.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.595 -0.73 . . . . 0.82 110.803 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.98 -31.61 56.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.87 0.367 . . . . 0.23 110.13 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -65.59 -42.34 91.81 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.558 -0.534 . . . . 3.33 109.558 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -66.22 -44.41 83.89 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.153 -0.684 . . . . 1.89 109.153 176.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.502 ' HB2' ' HB3' ' A' ' 692' ' ' LEU . . . -55.21 -41.7 72.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.873 -0.603 . . . . 0.23 111.406 174.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -64.87 -38.19 90.13 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-O 120.697 0.284 . . . . 1.76 110.691 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 69.4 mtm -73.23 -21.07 60.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.512 -0.313 . . . . 0.79 110.838 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 4.1 mm? -86.94 -26.91 23.63 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.69 0.281 . . . . 0.53 110.8 174.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -86.49 -59.32 2.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.567 -0.288 . . . . 0.82 111.445 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 32.5 p -90.38 -4.54 56.98 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.924 0.393 . . . . 1.45 111.565 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 92.27 150.08 25.41 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.496 -0.859 . . . . 1.4 111.387 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -146.4 -178.23 21.65 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.63 -0.795 . . . . 2.07 112.089 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -71.79 85.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.873 0.368 . . . . 5.05 110.623 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 103.84 -2.7 45.03 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.743 -0.741 . . . . 1.41 111.799 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -109.36 121.32 44.93 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.755 -0.461 . . . . 1.38 109.755 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -76.34 153.88 35.48 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.33 -0.619 . . . . 2.83 109.33 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 20.9 ptmt -88.97 127.29 35.66 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.387 -0.525 . . . . 1.72 110.291 179.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . 0.501 ' OD2' ' HB3' ' A' ' 687' ' ' GLN . 22.3 t70 -151.55 108.9 2.94 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.714 -0.675 . . . . 1.68 110.036 -179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -53.44 -29.65 49.86 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.338 2.692 . . . . 0.42 113.811 -177.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . 0.501 ' HB3' ' OD2' ' A' ' 685' ' ' ASP . 27.7 tp60 -66.01 -52.37 49.86 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.649 -0.5 . . . . 2.21 109.649 179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -67.02 -35.3 79.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.744 -0.662 . . . . 3.24 109.557 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 17.9 m -55.06 -55.16 34.07 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.683 -0.69 . . . . 1.11 110.659 176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.5 -32.65 71.55 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.139 -1.029 . . . . 0.19 111.858 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 32.3 t70 -62.22 -45.77 91.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.381 0.61 . . . . 1.54 109.723 178.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 672' ' ' ALA . 0.3 OUTLIER -74.34 -34.68 63.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 1.35 111.045 179.628 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . 0.413 ' CE2' ' HD2' ' A' ' 715' ' ' LYS . 7.5 m-85 -65.71 -37.77 87.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.664 0.269 . . . . 1.33 111.108 177.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 15.5 p -72.05 -34.8 69.03 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.625 -0.43 . . . . 0.31 110.171 178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 27.9 mt-30 -64.88 -44.37 89.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.881 -0.414 . . . . 2.13 109.881 172.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.91 93.5 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.016 -0.538 . . . . 0.18 111.039 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -70.12 -35.53 74.16 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.2 110.526 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -60.6 -45.86 92.41 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.33 -0.618 . . . . 1.84 109.33 174.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -69.16 -26.21 64.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.989 -0.551 . . . . 0.21 110.964 177.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.03 -50.18 43.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.259 -0.428 . . . . 0.16 110.391 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -69.68 -25.31 63.82 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.704 -0.48 . . . . 0.76 109.704 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -67.56 -39.95 84.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.66 -0.7 . . . . 2.58 109.634 174.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.26 22.35 2.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.276 -0.875 . . . . 0.45 111.919 -177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 657' ' ' ASP . 95.0 mmm 65.87 20.44 11.39 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.098 0.475 . . . . 2.61 111.909 175.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 665' ' ' TYR . 74.5 mmtt -107.86 65.1 0.63 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.078 -0.51 . . . . 1.59 109.734 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -57.39 -36.23 75.62 Favored Glycine 0 CA--C 1.517 0.183 0 CA-C-N 115.688 -0.687 . . . . 0.47 113.199 -177.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -63.6 -45.01 92.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.937 0.398 . . . . 3.9 110.451 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.85 -42.68 98.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.96 -0.564 . . . . 1.02 109.883 176.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -56.87 -54.13 50.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.34 -0.846 . . . . 0.21 110.73 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -54.45 -48.64 71.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.264 -0.425 . . . . 1.6 110.728 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -57.56 -54.5 46.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.529 -0.305 . . . . 1.83 111.615 178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -63.0 -27.01 69.13 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.316 0.487 . . . . 0.44 112.316 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . 0.487 ' CE1' HD11 ' A' ' 638' ' ' LEU . 22.9 m-85 -71.42 -40.79 70.21 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.397 -0.521 . . . . 2.95 109.997 172.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . 0.522 ' HA ' ' OH ' ' A' ' 641' ' ' TYR . 58.0 tp60 -64.69 -24.85 67.7 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.721 0.772 . . . . 1.98 109.629 175.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 715' ' ' LYS . 4.7 tmtp? -83.15 -37.23 23.98 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.293 -0.867 . . . . 1.67 108.823 -178.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.42 98.88 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.834 -0.621 . . . . 0.25 110.076 173.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -58.56 -48.62 80.28 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-N 115.99 -0.55 . . . . 2.16 109.876 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -53.71 -46.54 70.79 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.169 -0.469 . . . . 2.2 110.725 176.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -55.27 -54.85 38.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.901 -0.591 . . . . 0.37 111.413 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 16.3 m0 -73.22 -24.62 60.52 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.044 0.387 . . . . 0.47 112.044 -178.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -72.58 -36.67 68.24 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.835 0.35 . . . . 0.64 111.203 177.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -83.08 -55.95 4.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.492 -0.322 . . . . 2.38 110.899 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 64.4 mtm 61.75 -85.85 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.84 0.713 . . . . 2.42 111.292 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -66.17 124.0 21.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.082 0.468 . . . . 4.88 110.965 -178.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.67 -0.681 . . . . 5.52 109.32 -179.33 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.594 0 N-CA-C 111.754 -0.538 . . . . 15.53 111.754 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 57.2 p -93.95 153.73 18.05 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.308 -0.256 . . . . 14.35 110.308 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -86.95 42.15 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.559 -0.534 . . . . 13.37 109.559 176.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' A' ' 653' ' ' GLY . 26.6 mmt 61.67 93.93 0.04 OUTLIER 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.306 -0.861 . . . . 13.3 110.211 -174.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 10.3 p -67.71 130.18 93.12 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.57 -0.741 . . . . 9.26 111.006 -177.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . 0.455 ' HB2' ' SG ' ' A' ' 631' ' ' CYS . 74.2 Cg_endo -75.22 64.99 6.27 Favored 'Trans proline' 0 N--CA 1.463 -0.277 0 C-N-CA 122.994 2.463 . . . . 7.14 111.723 178.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -66.25 -40.33 90.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.807 -0.633 . . . . 7.07 111.058 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -116.23 37.15 3.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.152 -0.476 . . . . 8.95 111.001 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' A' ' 628' ' ' PRO . 23.6 p -73.79 2.53 8.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.288 -0.415 . . . . 4.38 112.06 -175.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -110.12 -9.01 14.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.826 0.346 . . . . 4.67 110.623 175.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -93.72 -40.41 10.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.305 -0.407 . . . . 5.22 111.997 -171.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . 0.499 ' CZ3' HD22 ' A' ' 638' ' ' LEU . 63.5 p-90 -65.34 -17.28 64.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.418 -0.355 . . . . 3.28 111.376 -176.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.74 -37.36 65.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 3.12 111.198 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.49 -47.14 85.26 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.885 0.374 . . . . 5.37 110.26 177.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -61.52 -37.28 83.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.867 -0.606 . . . . 2.89 110.723 177.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . 0.499 HD22 ' CZ3' ' A' ' 634' ' ' TRP . 28.8 tp -63.69 -30.67 71.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.573 -0.74 . . . . 2.25 111.602 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -65.34 -27.58 68.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.132 0.492 . . . . 5.62 110.473 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -105.4 10.72 33.27 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.814 -0.63 . . . . 7.07 110.376 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . 0.442 ' HB2' ' HA ' ' A' ' 638' ' ' LEU . 35.9 t80 -62.01 92.83 0.04 OUTLIER 'General case' 0 C--N 1.334 -0.097 0 CA-C-N 115.742 -0.663 . . . . 5.5 110.891 -177.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . 0.516 ' HA ' ' OE1' ' A' ' 717' ' ' GLU . 12.4 m120 -125.02 86.6 2.58 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.314 -0.995 . . . . 4.9 108.314 174.336 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . 0.7 ' HB ' ' OE1' ' A' ' 714' ' ' GLN . 1.2 m -123.56 20.76 9.47 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.062 -0.972 . . . . 4.46 111.141 -168.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . 0.529 ' HB2' ' HB3' ' A' ' 717' ' ' GLU . . . -65.78 -42.14 91.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.274 -0.421 . . . . 5.98 111.658 -175.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 7.9 mp -78.97 -47.76 15.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.031 0.444 . . . . 8.01 110.399 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -105.77 73.57 1.02 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.827 -0.624 . . . . 8.8 110.144 -177.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -69.14 99.93 1.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.043 -0.526 . . . . 12.08 110.006 -177.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 22.4 p -82.95 84.73 7.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.031 -0.531 . . . . 10.68 111.529 -177.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -81.6 74.38 8.59 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.133 -0.691 . . . . 13.39 109.133 176.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 58.2 m -141.01 52.03 1.6 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.814 -0.63 . . . . 12.15 110.591 -178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . 0.418 ' OD1' ' HD2' ' A' ' 707' ' ' ARG . 15.7 t70 -110.07 131.81 54.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.205 -0.452 . . . . 13.19 110.437 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -121.71 -5.88 9.15 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.534 0.683 . . . . 15.45 109.498 176.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . 0.595 ' O ' ' HG3' ' A' ' 626' ' ' MET . . . -80.3 -62.44 2.08 Favored Glycine 0 N--CA 1.442 -0.935 0 CA-C-N 115.436 -0.802 . . . . 13.46 112.515 -176.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . 80.88 -45.62 3.19 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.426 -0.892 . . . . 12.43 111.935 -174.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 59.51 71.83 0.56 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.919 0.866 . . . . 10.98 110.101 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -91.99 88.61 6.64 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 114.981 -1.008 . . . . 11.8 109.533 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -22.48 54.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.505 -0.77 . . . . 7.39 111.83 -175.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 121.56 -29.73 5.57 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.561 -0.828 . . . . 5.88 112.677 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -82.28 84.68 7.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.34 0.591 . . . . 3.98 110.308 -177.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -121.0 31.99 6.15 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.46 -0.791 . . . . 6.1 109.587 169.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -72.03 -69.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.728 -0.669 . . . . 3.86 109.627 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -126.79 86.77 57.98 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.454 -0.573 . . . . 3.19 109.454 172.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 665' ' ' TYR . 1.5 Cg_endo -80.25 122.11 4.57 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 122.249 1.966 . . . . 0.97 112.166 177.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -77.32 -29.13 53.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.837 0.351 . . . . 3.16 110.739 176.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 663' ' ' PRO . 1.8 p90 -64.02 -23.02 67.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.81 111.406 -177.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 19.4 mmt -73.23 -38.88 65.87 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.649 0.262 . . . . 1.17 110.308 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 59.2 ttp -72.18 -43.35 64.67 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 109.546 -0.539 . . . . 1.2 109.546 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.55 -39.1 89.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.545 -0.752 . . . . 0.82 110.549 177.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.88 -32.92 57.81 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.739 0.304 . . . . 0.23 110.484 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -61.84 -47.15 86.36 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.7 -0.481 . . . . 3.33 109.7 175.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -65.19 -43.74 90.66 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 109.304 -0.628 . . . . 1.89 109.304 178.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.44 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -54.56 -41.89 70.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.895 -0.593 . . . . 0.23 111.358 175.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.52 -41.0 89.45 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.428 -0.351 . . . . 1.76 110.401 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 70.4 mtm -68.43 -26.75 65.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.79 110.496 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -86.39 -23.17 26.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 0.53 110.671 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -76.45 -58.36 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.242 -0.436 . . . . 0.82 110.703 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 20.2 p -81.75 -33.1 31.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.236 -0.438 . . . . 1.45 111.435 -176.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . 0.453 ' CA ' ' HB3' ' A' ' 684' ' ' LYS . . . 89.61 165.41 40.9 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.949 -0.643 . . . . 1.4 111.786 -177.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -176.57 -179.8 47.19 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.449 -0.881 . . . . 2.07 112.115 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -76.91 82.85 3.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.207 0.527 . . . . 5.05 109.771 177.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 148.17 -41.13 0.91 Allowed Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.999 -0.84 . . . . 1.41 110.999 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -112.2 121.07 43.9 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.955 -0.387 . . . . 1.38 109.955 177.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -81.82 120.15 24.8 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.37 -0.604 . . . . 2.83 109.37 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . 0.453 ' HB3' ' CA ' ' A' ' 678' ' ' GLY . 20.5 ptmt -63.01 135.59 57.37 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.638 0.733 . . . . 1.72 111.729 -175.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -148.78 101.77 3.44 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.011 -0.995 . . . . 1.68 109.265 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -51.58 -33.22 47.41 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.17 2.58 . . . . 0.42 113.636 -177.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 55.4 tp60 -69.08 -54.0 17.36 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-O 120.633 0.254 . . . . 2.21 110.389 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -67.08 -34.6 78.01 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.272 -0.64 . . . . 3.24 109.272 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 34.5 t -53.12 -55.16 26.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.717 -0.674 . . . . 1.11 110.528 175.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -66.89 -32.92 82.43 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.228 -0.987 . . . . 0.19 112.085 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.65 -44.59 93.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.145 0.498 . . . . 1.54 109.788 178.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 40.6 mt -70.25 -37.66 74.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 116.054 -0.521 . . . . 1.35 110.601 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . 0.44 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 7.8 m-85 -66.82 -38.91 87.36 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 121.19 -0.204 . . . . 1.33 111.129 177.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 19.6 p -73.58 -34.36 65.08 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.738 -0.385 . . . . 0.31 110.63 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -69.79 -39.51 76.55 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.938 -0.393 . . . . 2.13 109.938 174.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.95 97.85 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.228 -0.442 . . . . 0.18 110.482 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -68.97 -33.78 74.24 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.849 0.356 . . . . 0.2 110.387 179.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -60.38 -49.26 78.28 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.862 -0.608 . . . . 1.84 109.709 174.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -66.88 -26.68 67.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.909 -0.587 . . . . 0.21 110.962 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.37 -49.69 25.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.982 -0.554 . . . . 0.16 110.707 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -67.35 -30.84 70.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.978 0.418 . . . . 0.76 110.165 179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -68.42 -28.08 66.76 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.168 0.508 . . . . 2.58 109.969 176.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -95.12 17.65 13.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.715 -0.675 . . . . 0.45 111.091 178.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 26.3 mmt 59.11 41.52 20.41 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.992 -0.549 . . . . 2.61 111.364 176.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -114.43 84.17 2.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.969 -0.559 . . . . 1.59 110.156 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . 0.484 ' HA2' ' CZ2' ' A' ' 634' ' ' TRP . . . -53.96 -58.43 12.67 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.946 -0.57 . . . . 0.47 114.079 -178.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 707' ' ' ARG . 22.8 ttt180 -57.76 -40.47 79.84 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.997 0.399 . . . . 3.9 111.329 -176.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.74 -51.84 65.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.425 -0.352 . . . . 1.02 110.244 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -59.27 -46.66 87.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.751 -0.659 . . . . 0.21 111.055 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -59.3 -49.83 76.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 1.6 110.385 178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -56.05 -56.51 19.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.013 -0.539 . . . . 1.83 111.531 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -61.9 -32.93 73.35 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.31 -0.405 . . . . 0.44 111.859 -178.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . 0.417 ' CD2' HD11 ' A' ' 638' ' ' LEU . 2.7 m-85 -69.07 -40.05 78.7 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 120.359 -0.537 . . . . 2.95 109.95 173.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . 0.7 ' OE1' ' HB ' ' A' ' 643' ' ' THR . 59.8 tp60 -58.79 -37.16 75.71 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.529 0.681 . . . . 1.98 110.299 176.693 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.35 -27.16 27.91 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 109.061 -0.718 . . . . 1.67 109.061 -175.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -64.94 -42.58 94.54 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 109.688 -0.486 . . . . 0.25 109.688 172.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . 0.529 ' HB3' ' HB2' ' A' ' 644' ' ' ALA . 28.5 mt-10 -63.55 -48.49 77.28 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.755 -0.657 . . . . 2.16 109.756 177.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -59.33 -37.94 79.07 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.593 -0.276 . . . . 2.2 111.058 177.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -58.43 -54.01 51.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.634 0.254 . . . . 0.37 110.941 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 24.0 m0 -73.42 -30.48 63.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.339 -0.391 . . . . 0.47 111.937 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -73.4 -41.13 63.71 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.854 0.316 . . . . 0.64 111.854 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' A' ' 724' ' ' GLU . 21.3 mt-30 -86.59 -58.26 2.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.461 -0.336 . . . . 2.38 111.249 -175.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 66.0 mtm 50.94 34.22 10.17 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.832 0.348 . . . . 2.42 111.243 -176.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 722' ' ' GLN . 15.1 pt-20 -164.08 33.68 0.08 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.272 0.558 . . . . 4.88 110.461 -177.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.426 -0.797 . . . . 5.52 109.464 -177.286 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.664 0 N-CA-C 112.072 -0.411 . . . . 15.53 112.072 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 36.9 m 61.91 32.09 17.99 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.891 0.476 . . . . 14.35 111.733 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -106.97 -16.4 14.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.992 0.425 . . . . 13.37 110.305 176.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.406 ' HB3' ' HG2' ' A' ' 655' ' ' GLU . 18.4 ptm -77.48 99.25 5.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.211 -0.449 . . . . 13.3 110.012 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.552 ' HA ' ' SD ' ' A' ' 704' ' ' MET . 51.1 m 61.92 68.79 1.06 Allowed Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.517 -0.765 . . . . 9.26 111.17 -177.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.05 -14.47 43.64 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.04 2.493 . . . . 7.14 113.081 -175.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -93.01 29.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.459 0.647 . . . . 7.07 109.982 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 57.37 42.4 24.92 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.35 -0.841 . . . . 8.95 111.18 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . 0.456 ' O ' ' HD1' ' A' ' 634' ' ' TRP . 46.4 m -107.46 38.6 2.1 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.835 -0.62 . . . . 4.38 109.583 176.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -85.29 4.67 33.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.467 -0.788 . . . . 4.67 110.392 -177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . 0.467 ' HA ' ' OE1' ' A' ' 636' ' ' GLU . 10.4 p-10 -71.65 -5.23 32.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.364 -0.835 . . . . 5.22 110.768 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . 0.456 ' HD1' ' O ' ' A' ' 631' ' ' CYS . 46.4 p-90 -70.02 -25.1 63.41 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.544 -0.539 . . . . 3.28 109.544 176.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.49 -43.54 96.97 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.516 -0.766 . . . . 3.12 109.483 175.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . 0.467 ' OE1' ' HA ' ' A' ' 633' ' ' ASP . 1.9 mp0 -62.69 -45.73 91.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.587 -0.733 . . . . 5.37 109.732 175.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.12 78.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.626 -0.716 . . . . 2.89 111.384 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -81.1 -15.21 56.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.439 -0.346 . . . . 2.25 111.584 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -77.71 -33.24 53.16 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.955 -0.387 . . . . 5.62 109.955 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . 0.447 ' HD1' ' O ' ' A' ' 636' ' ' GLU . 86.7 m95 -82.98 1.67 38.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 7.07 110.78 177.104 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -75.14 83.25 2.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.839 -0.619 . . . . 5.5 109.753 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -126.85 52.88 1.73 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.483 -0.78 . . . . 4.9 109.556 177.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 2.6 p -88.84 -83.61 0.22 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.559 -0.746 . . . . 4.46 111.905 -175.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . -125.47 -49.07 1.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.857 0.318 . . . . 5.98 111.857 -176.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 87.2 mt -99.16 148.25 24.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.859 0.361 . . . . 8.01 110.649 -178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -96.92 133.8 41.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.123 -0.49 . . . . 8.8 109.817 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 86.2 mtp -107.83 148.16 29.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.948 0.404 . . . . 12.08 110.368 179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 12.4 p -91.04 71.32 6.37 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.087 0.47 . . . . 10.68 110.504 176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -79.57 48.84 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.775 0.798 . . . . 13.39 110.885 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 52.3 t -103.74 146.33 28.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.051 -0.977 . . . . 12.15 109.62 177.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 25.9 t70 59.77 91.86 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.773 0.671 . . . . 13.19 111.426 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -95.36 43.32 1.09 Allowed 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.129 0.49 . . . . 15.45 109.725 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -76.33 -10.32 85.56 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.687 -0.688 . . . . 13.46 112.642 -177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -75.66 69.45 2.07 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.833 -0.507 . . . . 12.43 111.833 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.406 ' HG2' ' HB3' ' A' ' 626' ' ' MET . 35.6 mt-10 -84.62 98.77 10.37 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.805 0.336 . . . . 10.98 111.057 -177.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -162.09 136.81 6.95 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.822 -0.626 . . . . 11.8 109.501 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -103.52 116.92 33.29 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.365 0.602 . . . . 7.39 109.743 176.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -100.77 34.53 5.52 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.918 -0.658 . . . . 5.88 112.987 -175.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 15.1 tpt -112.67 77.88 1.08 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.183 0.516 . . . . 3.98 109.999 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -85.29 -56.31 3.6 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.972 -0.558 . . . . 6.1 110.185 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . 0.416 ' O ' ' HD3' ' A' ' 663' ' ' PRO . 22.6 t70 -167.92 -38.29 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.141 -0.481 . . . . 3.86 110.579 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -96.7 100.6 7.49 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.866 -0.606 . . . . 3.19 109.813 177.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 661' ' ' ASP . 57.0 Cg_endo -75.22 119.88 5.77 Favored 'Trans proline' 0 N--CA 1.455 -0.777 0 C-N-CA 121.083 1.189 . . . . 0.97 111.292 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -78.5 -28.87 46.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.258 -0.428 . . . . 3.16 111.048 -178.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 705' ' ' LYS . 9.3 p90 -66.48 -34.69 78.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.191 -0.459 . . . . 0.81 111.711 -174.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 14.7 mmt -71.35 -38.84 71.6 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.612 -0.435 . . . . 1.17 110.512 178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 48.4 ttp -64.89 -49.45 70.41 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.2 0.524 . . . . 1.2 109.715 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.57 -32.2 73.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.426 -0.806 . . . . 0.82 110.946 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -76.43 -36.19 58.12 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.871 -0.332 . . . . 0.23 110.371 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -64.12 -42.6 96.8 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.554 -0.535 . . . . 3.33 109.554 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -62.53 -46.6 87.65 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.103 -0.703 . . . . 1.89 109.103 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -59.44 -41.39 89.48 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.794 -0.639 . . . . 0.23 111.187 176.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.43 -42.11 99.2 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.19 -0.459 . . . . 1.76 110.183 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 68.9 mtm -67.89 -37.1 81.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.79 110.643 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.565 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.7 mm? -72.34 -30.06 64.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.711 0.291 . . . . 0.53 111.164 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . 0.471 ' CE2' ' HA ' ' A' ' 719' ' ' ALA . 32.4 t80 -82.91 -52.96 6.22 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 111.948 0.351 . . . . 0.82 111.948 -176.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 47.1 p -80.91 -24.62 38.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.92 0.391 . . . . 1.45 111.919 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 110.26 107.63 3.06 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 110.988 -0.845 . . . . 1.4 110.988 -175.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -97.81 166.87 22.77 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.505 -0.855 . . . . 2.07 111.888 -176.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.76 74.82 10.41 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.493 0.663 . . . . 5.05 109.582 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 130.17 -13.33 5.74 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 114.916 -1.038 . . . . 1.41 111.02 -173.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -112.23 120.76 42.86 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.056 -0.35 . . . . 1.38 110.056 177.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -73.61 135.69 43.86 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.483 -0.562 . . . . 2.83 109.483 174.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 22.1 ptmt -68.27 128.84 38.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.326 0.584 . . . . 1.72 110.798 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -142.49 102.63 5.49 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.387 -0.824 . . . . 1.68 109.696 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . 0.447 ' CB ' ' HG2' ' A' ' 723' ' ' MET . 52.5 Cg_exo -53.97 -31.61 64.35 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.885 2.39 . . . . 0.42 113.33 -176.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . 0.46 ' HA ' ' HE1' ' A' ' 720' ' ' TRP . 57.7 tp60 -69.92 -53.22 18.87 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 120.617 0.246 . . . . 2.21 110.366 -177.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -65.93 -32.23 73.61 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.503 -0.555 . . . . 3.24 109.503 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . . . . . . . . . 40.6 m -54.59 -53.9 48.53 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.043 -0.526 . . . . 1.11 110.46 174.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.09 -31.79 72.43 Favored Glycine 0 N--CA 1.445 -0.704 0 C-N-CA 120.267 -0.968 . . . . 0.19 111.92 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . 0.532 ' O ' ' HG3' ' A' ' 695' ' ' GLN . 37.7 t70 -62.02 -46.04 90.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.25 0.548 . . . . 1.54 109.8 176.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 48.6 mt -71.12 -35.6 71.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.931 -0.577 . . . . 1.35 111.022 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -64.08 -39.63 94.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.677 0.275 . . . . 1.33 110.668 176.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 11.8 p -74.38 -34.02 63.22 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.831 -0.348 . . . . 0.31 110.667 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 691' ' ' ASP . 77.7 mt-30 -63.79 -44.96 91.81 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.168 -0.678 . . . . 2.13 109.168 172.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.88 95.16 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.429 -0.805 . . . . 0.18 110.952 178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -68.12 -36.51 79.83 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 120.792 0.329 . . . . 0.2 110.639 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -61.11 -48.03 83.53 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.385 -0.598 . . . . 1.84 109.385 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -65.3 -27.96 68.99 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.054 -0.521 . . . . 0.21 111.027 177.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -70.46 -50.72 35.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.09 -0.504 . . . . 0.16 110.548 178.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -68.37 -26.98 65.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.934 0.397 . . . . 0.76 110.032 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -68.57 -37.96 80.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.815 -0.629 . . . . 2.58 109.96 174.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.18 18.54 4.95 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.81 -0.632 . . . . 0.45 111.711 -177.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . 0.552 ' SD ' ' HA ' ' A' ' 627' ' ' SER . 62.0 mtm 66.1 28.58 10.23 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.283 -0.417 . . . . 2.61 111.398 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 665' ' ' TYR . 73.9 mmtt -113.33 72.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.98 0.419 . . . . 1.59 110.032 -178.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -60.75 -39.27 96.47 Favored Glycine 0 CA--C 1.518 0.257 0 CA-C-N 115.993 -0.549 . . . . 0.47 113.953 -176.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -63.69 -42.93 97.94 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.052 0.453 . . . . 3.9 110.183 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.45 -43.76 98.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.752 -0.658 . . . . 1.02 109.629 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -58.69 -56.48 21.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.721 -0.672 . . . . 0.21 110.804 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -52.96 -48.65 67.22 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.308 -0.405 . . . . 1.6 110.656 179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -54.82 -58.26 8.28 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.012 -0.54 . . . . 1.83 111.084 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -62.97 -28.88 70.39 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.777 0.658 . . . . 0.44 112.777 -176.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -68.39 -47.46 67.29 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.451 -0.5 . . . . 2.95 109.753 173.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -66.1 -23.74 66.56 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.703 -0.68 . . . . 1.98 109.979 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 25.1 tptp -81.26 -34.74 31.88 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.515 -0.92 . . . . 1.67 108.515 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.17 91.68 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.451 -0.795 . . . . 0.25 110.053 171.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -59.66 -44.29 93.62 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 115.734 -0.666 . . . . 2.16 110.131 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -54.25 -48.95 70.6 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.117 -0.492 . . . . 2.2 110.319 175.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . 0.471 ' HA ' ' CE2' ' A' ' 676' ' ' PHE . . . -55.82 -53.21 59.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.435 -0.348 . . . . 0.37 111.765 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . 0.46 ' HE1' ' HA ' ' A' ' 687' ' ' GLN . 24.2 m0 -70.66 -25.83 63.18 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.425 0.528 . . . . 0.47 112.425 -177.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -82.21 -35.64 28.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.089 0.471 . . . . 0.64 111.748 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 724' ' ' GLU . 8.8 tt0 -92.39 15.8 13.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.682 -0.69 . . . . 2.38 111.726 -173.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . 0.447 ' HG2' ' CB ' ' A' ' 686' ' ' PRO . 69.3 mtm -52.15 95.18 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.853 0.359 . . . . 2.42 111.434 177.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 722' ' ' GLN . 11.4 pt-20 -175.84 -161.94 0.09 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.898 -0.592 . . . . 4.88 109.472 -178.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 C--O 1.25 1.109 0 O-C-N 123.711 0.632 . . . . 5.52 110.755 178.007 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 112.01 -0.436 . . . . 15.53 112.01 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 23.2 m 59.28 42.59 18.11 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 122.486 0.314 . . . . 14.35 110.604 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 41.9 m80 65.14 102.39 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.68 -0.691 . . . . 13.37 110.357 -174.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 95.8 mmm -74.18 71.14 1.65 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.288 0.566 . . . . 13.3 110.488 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . 0.417 ' HA ' ' HD3' ' A' ' 628' ' ' PRO . 4.8 p -83.75 117.64 69.21 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.529 -0.76 . . . . 9.26 110.811 -178.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 627' ' ' SER . 3.1 Cg_exo -74.73 78.85 2.71 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.531 2.154 . . . . 7.14 111.69 176.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -73.98 -18.49 60.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.334 0.588 . . . . 7.07 110.311 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 630' ' ' ARG . 20.4 mtm180 -80.63 127.93 33.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.71 -0.677 . . . . 8.95 109.828 176.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . . . . . . . . . 5.2 p -79.28 59.4 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.601 0.715 . . . . 4.38 110.546 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . 0.427 ' HA ' HD13 ' A' ' 635' ' ' LEU . 10.7 pt20 -150.82 -39.18 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.243 -0.89 . . . . 4.67 110.34 179.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.26 -42.97 99.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.848 -0.615 . . . . 5.22 111.919 -177.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -76.08 -20.7 57.48 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.181 -0.608 . . . . 3.28 110.662 -177.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 632' ' ' GLN . 7.4 mp -69.65 -40.19 76.64 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.484 -0.561 . . . . 3.12 109.484 174.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.87 -44.21 90.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.542 -0.754 . . . . 5.37 109.984 176.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.39 -36.97 76.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.516 -0.765 . . . . 2.89 110.599 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -31.1 72.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.521 -0.763 . . . . 2.25 110.39 177.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 37.8 t60 -78.98 -33.85 44.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.288 -0.414 . . . . 5.62 111.03 -176.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -91.86 10.37 28.98 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.059 0.392 . . . . 7.07 112.059 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -57.65 144.0 39.35 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.793 -0.447 . . . . 5.5 109.793 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -98.2 134.99 40.49 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.524 -0.307 . . . . 4.9 110.633 -173.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . 0.412 ' CA ' ' HG2' ' A' ' 717' ' ' GLU . 7.1 p -91.31 55.5 2.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.299 -0.409 . . . . 4.46 111.778 -177.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . 69.86 -20.03 0.19 Allowed 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.527 0.936 . . . . 5.98 113.527 173.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 96.3 mt -76.91 -19.71 57.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.977 0.417 . . . . 8.01 110.823 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -119.17 162.76 18.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.92 -0.582 . . . . 8.8 109.601 177.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 26.1 ptm -127.15 114.14 17.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.212 0.529 . . . . 12.08 110.281 177.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 40.9 p -125.47 115.11 19.72 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.967 -0.56 . . . . 10.68 111.473 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -131.36 51.5 2.14 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.205 -1.035 . . . . 13.39 108.205 173.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 21.3 m -92.64 84.05 4.98 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.038 -0.983 . . . . 12.15 111.273 -170.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -160.25 107.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.32 -0.4 . . . . 13.19 110.825 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -96.71 65.8 2.21 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.742 -0.466 . . . . 15.45 109.742 177.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . 65.64 47.75 74.11 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.806 -0.712 . . . . 13.46 111.348 -175.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -102.21 -86.74 1.96 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.965 -0.636 . . . . 12.43 113.511 -172.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -78.23 56.52 1.7 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.23 0.538 . . . . 10.98 112.068 -172.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -101.56 124.5 47.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.83 -0.623 . . . . 11.8 109.892 177.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . 0.678 ' OD2' ' HG3' ' A' ' 659' ' ' MET . 3.1 t70 -128.69 138.84 52.36 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.921 -0.581 . . . . 7.39 110.57 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . -134.66 42.15 1.38 Allowed Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 121.044 -0.598 . . . . 5.88 112.168 178.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . 0.678 ' HG3' ' OD2' ' A' ' 657' ' ' ASP . 0.0 OUTLIER -62.39 -22.94 66.54 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.94 0.4 . . . . 3.98 111.07 177.308 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.576 ' HG3' ' SD ' ' A' ' 659' ' ' MET . 29.5 mt-30 -130.5 137.71 49.89 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.029 -0.73 . . . . 6.1 109.029 170.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -96.27 15.8 20.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.241 0.543 . . . . 3.86 110.539 -178.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -115.51 87.5 17.26 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.429 -0.805 . . . . 3.19 109.46 175.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -81.66 118.05 3.1 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 121.422 1.415 . . . . 0.97 112.221 177.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . 0.405 ' O ' HD13 ' A' ' 668' ' ' LEU . 53.1 mtp180 -81.01 -42.88 20.43 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.666 0.746 . . . . 3.16 109.922 174.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -61.0 -28.03 68.74 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.725 -1.125 . . . . 0.81 111.659 -176.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 64.1 mtt -75.19 -36.67 61.43 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.039 -0.264 . . . . 1.17 110.711 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 56.2 ttp -69.29 -45.42 69.63 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.431 -0.581 . . . . 1.2 109.431 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 664' ' ' ARG . 10.8 mp -61.8 -38.47 88.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.28 -0.873 . . . . 0.82 110.802 178.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.46 -32.62 54.55 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 121.012 -0.275 . . . . 0.23 110.417 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -64.03 -43.95 94.01 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.805 -0.443 . . . . 3.33 109.805 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.06 -47.13 86.07 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.125 -0.694 . . . . 1.89 109.125 176.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . . . . . . . . . . . -58.86 -39.8 82.43 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.635 -0.711 . . . . 0.23 111.39 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -65.33 -45.17 85.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 1.76 110.306 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 72.0 mtm -67.07 -27.63 67.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.817 -0.629 . . . . 0.79 110.407 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 61.6 mt -87.22 -9.49 54.96 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.478 -0.328 . . . . 0.53 111.432 176.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . 0.466 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 63.5 t80 -89.65 -61.23 1.74 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.906 0.384 . . . . 0.82 111.331 178.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 14.0 t -98.99 -7.1 27.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.01 0.433 . . . . 1.45 111.451 -172.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 102.9 118.63 4.49 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.533 -0.841 . . . . 1.4 111.653 -177.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -123.09 -158.39 10.18 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.547 -0.835 . . . . 2.07 112.506 -177.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -76.66 79.83 3.31 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.984 0.421 . . . . 5.05 110.879 -176.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 92.0 5.89 65.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.905 -0.664 . . . . 1.41 112.621 178.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -101.24 123.48 45.43 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.126 -0.324 . . . . 1.38 110.126 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -70.85 137.45 49.44 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.601 -0.518 . . . . 2.83 109.601 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 14.3 ptmm? -83.33 95.59 8.24 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.92 0.867 . . . . 1.72 111.121 -176.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -113.57 103.42 55.4 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 114.976 -1.011 . . . . 1.68 109.833 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -53.21 -28.51 42.47 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.948 2.432 . . . . 0.42 113.343 -178.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -69.29 -54.88 12.4 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.654 0.264 . . . . 2.21 110.434 -177.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -68.95 -32.44 72.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 3.24 110.024 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . 0.466 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 27.3 t -54.41 -50.16 68.24 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.746 -0.661 . . . . 1.11 110.249 177.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -67.71 -33.75 81.39 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.364 -0.922 . . . . 0.19 112.058 -179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -62.5 -44.82 95.44 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.191 0.52 . . . . 1.54 110.387 179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 28.8 mt -72.93 -30.51 63.95 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 120.582 -0.447 . . . . 1.35 111.23 178.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -67.71 -37.2 81.92 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.752 -0.379 . . . . 1.33 110.919 174.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 18.0 p -71.3 -40.85 70.57 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.807 -0.357 . . . . 0.31 110.387 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -38.42 91.04 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.302 -0.629 . . . . 2.13 109.302 176.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -63.63 -37.69 88.29 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.534 -0.757 . . . . 0.18 111.078 175.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.43 88.31 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.645 0.259 . . . . 0.2 110.725 177.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.1 -45.14 91.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 1.84 110.005 175.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -70.58 -30.57 67.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.21 111.04 179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -69.74 -48.38 59.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.16 110.704 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 23.1 ptt? -67.88 -28.78 67.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.32 -0.4 . . . . 0.76 110.113 178.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.31 -26.29 61.9 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.328 0.585 . . . . 2.58 109.847 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.74 14.97 10.5 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.748 -0.66 . . . . 0.45 110.622 175.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . . . . . . . . . 75.2 mtp 60.7 35.26 19.77 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.438 -0.801 . . . . 2.61 111.253 177.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -120.03 80.64 1.62 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.863 -0.608 . . . . 1.59 110.834 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -59.12 -37.9 92.33 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.006 -0.997 . . . . 0.47 113.323 -178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . 0.467 ' O ' ' HG3' ' A' ' 711' ' ' GLN . 50.0 ttp180 -57.6 -49.68 75.63 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 117.19 0.495 . . . . 3.9 110.143 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.08 -47.05 87.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.841 -0.618 . . . . 1.02 110.329 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -59.7 -43.04 94.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.705 -0.68 . . . . 0.21 111.0 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . 0.516 HD22 ' C ' ' A' ' 710' ' ' ASN . 0.2 OUTLIER -61.66 -50.31 73.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.6 109.749 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 707' ' ' ARG . 21.9 mt-30 -57.77 -53.55 56.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.531 . . . . 1.83 110.81 178.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -60.74 -35.68 76.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.134 -0.484 . . . . 0.44 112.03 -178.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -66.19 -42.04 89.41 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.257 0.551 . . . . 2.95 109.995 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -66.51 -28.46 68.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.094 -0.957 . . . . 1.98 110.201 -178.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -87.46 -34.88 18.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.618 -0.719 . . . . 1.67 109.393 -176.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.24 91.15 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.375 0.607 . . . . 0.25 109.951 175.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . 0.412 ' HG2' ' CA ' ' A' ' 643' ' ' THR . 12.6 tp10 -68.31 -40.62 81.64 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.265 -0.88 . . . . 2.16 109.142 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -62.47 -41.27 98.66 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.749 -0.659 . . . . 2.2 110.626 177.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.7 -50.59 72.69 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.017 -0.538 . . . . 0.37 110.913 178.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 35.4 m0 -74.27 -27.96 60.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.47 111.371 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -68.4 -36.03 78.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.845 0.355 . . . . 0.64 111.23 178.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . 0.466 ' HG2' ' HG2' ' A' ' 724' ' ' GLU . 7.4 tt0 -70.2 -61.96 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.158 -0.474 . . . . 2.38 111.651 -176.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 58.6 mtm 28.03 53.58 0.07 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.809 0.844 . . . . 2.42 113.229 -178.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . 0.466 ' HG2' ' HG2' ' A' ' 722' ' ' GLN . 13.0 pt-20 -135.75 -4.55 2.24 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.413 0.625 . . . . 4.88 110.194 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.133 0 N-CA-C 108.39 -0.967 . . . . 5.52 108.39 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . 0.404 ' C ' ' HG ' ' A' ' 624' ' ' SER . . . . . . . . 0 N--CA 1.482 1.75 0 N-CA-C 111.894 -0.483 . . . . 15.53 111.894 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . 0.404 ' HG ' ' C ' ' A' ' 623' ' ' GLY . 81.4 p 53.37 -93.56 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.088 0.955 . . . . 14.35 111.764 -175.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -102.22 -38.28 7.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.163 0.506 . . . . 13.37 109.766 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . 0.431 ' HB3' ' C ' ' A' ' 654' ' ' GLY . 14.2 tpt -170.17 130.33 0.94 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.213 -0.903 . . . . 13.3 109.228 178.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 26.6 p -69.82 138.68 88.02 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.058 -0.519 . . . . 9.26 110.626 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . 0.455 ' HB3' ' SG ' ' A' ' 631' ' ' CYS . 57.3 Cg_exo -53.76 100.84 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 123.137 2.558 . . . . 7.14 112.142 175.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -117.6 -29.4 5.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.198 -0.455 . . . . 7.07 111.567 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . 0.519 ' HG3' ' H ' ' A' ' 631' ' ' CYS . 34.9 ptt180 -121.24 -56.58 1.9 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.174 -0.306 . . . . 8.95 110.174 -179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . 0.529 ' HB3' ' SD ' ' A' ' 704' ' ' MET . 59.4 m 41.95 43.19 2.57 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.097 0.777 . . . . 4.38 113.097 176.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -140.4 8.5 2.22 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.654 -0.418 . . . . 4.67 111.788 179.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -81.6 -24.71 36.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.896 0.379 . . . . 5.22 110.248 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . . . . . . . . . 54.4 p-90 -63.44 -28.68 70.14 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.955 -0.566 . . . . 3.28 111.572 -175.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.401 ' H ' HD22 ' A' ' 635' ' ' LEU . 3.5 mm? -55.0 -48.82 72.82 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.381 -0.6 . . . . 3.12 109.381 174.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -74.62 -47.32 32.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.195 -0.911 . . . . 5.37 110.329 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . 0.481 ' HA ' ' NE1' ' A' ' 640' ' ' TRP . . . -51.49 -50.22 60.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.864 -0.607 . . . . 2.89 111.861 -176.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.33 -11.23 59.93 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.689 -0.405 . . . . 2.25 111.42 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -78.47 -42.84 28.64 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 121.154 -0.218 . . . . 5.62 110.852 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . 0.481 ' NE1' ' HA ' ' A' ' 637' ' ' ALA . 38.2 p-90 -89.62 -10.63 45.24 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.888 -0.325 . . . . 7.07 111.253 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . 0.46 ' OH ' ' HB2' ' A' ' 714' ' ' GLN . 37.0 t80 -78.98 90.94 4.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.056 0.455 . . . . 5.5 110.242 -178.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -129.02 58.31 1.6 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.833 -0.621 . . . . 4.9 109.523 176.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . . . . . . . . . 4.8 t -146.18 139.23 25.74 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.018 -0.537 . . . . 4.46 111.163 -174.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 717' ' ' GLU . . . -89.36 -17.42 28.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.892 -0.594 . . . . 5.98 110.945 177.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 78.8 mt -140.02 79.49 1.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.192 -0.458 . . . . 8.01 111.436 -172.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -144.05 145.18 32.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.043 0.449 . . . . 8.8 110.521 173.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.95 55.66 3.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.471 -0.786 . . . . 12.08 111.034 -178.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 4.2 p -69.55 128.62 37.13 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.022 -0.535 . . . . 10.68 111.407 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -88.34 75.5 8.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.897 -0.592 . . . . 13.39 110.407 -178.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 59.9 m -110.22 54.6 0.66 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.719 -0.673 . . . . 12.15 109.327 175.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -73.01 152.74 41.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.126 -0.943 . . . . 13.19 111.386 -173.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -81.82 10.93 5.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.691 -0.686 . . . . 15.45 111.697 -175.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -86.56 9.39 71.21 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 121.009 -0.615 . . . . 13.46 112.27 177.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . 0.431 ' C ' ' HB3' ' A' ' 626' ' ' MET . . . -96.82 -138.18 9.89 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.895 -0.669 . . . . 12.43 111.645 177.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.42 102.36 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.266 0.555 . . . . 10.98 110.489 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -107.15 98.05 7.75 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.647 -0.706 . . . . 11.8 110.666 -175.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . 0.439 ' CG ' ' H ' ' A' ' 658' ' ' GLY . 8.7 t70 -166.85 -154.92 0.18 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.369 -0.604 . . . . 7.39 109.369 178.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . 0.439 ' H ' ' CG ' ' A' ' 657' ' ' ASP . . . 65.15 40.27 96.73 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.187 -0.53 . . . . 5.88 111.907 -179.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 10.4 tpt -89.9 78.34 6.81 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.369 0.604 . . . . 3.98 110.655 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . 0.427 ' OE1' ' HA ' ' A' ' 663' ' ' PRO . 2.6 pt20 -52.63 139.59 25.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.709 -1.132 . . . . 6.1 110.415 174.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -60.82 -32.59 71.96 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.212 -0.904 . . . . 3.86 111.266 -174.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -118.12 91.55 40.43 Favored Pre-proline 0 C--N 1.323 -0.555 0 N-CA-C 109.136 -0.69 . . . . 3.19 109.136 174.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . 0.427 ' HA ' ' OE1' ' A' ' 660' ' ' GLN . 33.7 Cg_endo -68.21 119.33 6.33 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 121.225 1.283 . . . . 0.97 111.352 -178.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -78.18 -34.78 49.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.59 -0.732 . . . . 3.16 110.746 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -64.95 -34.25 77.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.726 -0.67 . . . . 0.81 111.84 -175.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 62.1 mtt -69.56 -42.14 74.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.723 0.296 . . . . 1.17 110.758 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 58.5 ttp -69.59 -42.35 74.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.015 0.436 . . . . 1.2 109.983 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.94 -33.47 76.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 0.82 110.967 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -78.02 -34.65 50.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.349 . . . . 0.23 110.066 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -59.39 -46.62 88.17 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.364 -0.606 . . . . 3.33 109.364 173.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.54 -48.01 81.38 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.436 -0.802 . . . . 1.89 109.2 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -58.23 -39.71 79.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.659 -0.701 . . . . 0.23 111.779 179.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.29 -39.2 82.16 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 110.042 -0.355 . . . . 1.76 110.042 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 66.0 mtm -68.02 -29.53 68.55 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.409 -0.36 . . . . 0.79 110.283 176.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.545 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.4 mm? -80.18 -26.75 39.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.737 0.303 . . . . 0.53 110.899 178.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . 0.539 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 28.6 t80 -79.24 -61.22 2.08 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.901 -0.32 . . . . 0.82 111.059 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 41.2 p -81.74 -32.54 31.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.949 0.404 . . . . 1.45 111.606 -173.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 119.42 115.42 2.56 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.7 -0.96 . . . . 1.4 110.7 -175.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . -95.9 24.35 30.19 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.218 -0.991 . . . . 2.07 113.424 -172.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 46.56 54.83 8.29 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.726 0.774 . . . . 5.05 110.101 -179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 142.79 -26.39 2.23 Favored Glycine 0 N--CA 1.447 -0.618 0 N-CA-C 110.134 -1.186 . . . . 1.41 110.134 -171.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -104.67 120.65 41.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.302 -0.999 . . . . 1.38 108.302 169.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -75.99 130.72 38.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.067 0.46 . . . . 2.83 110.751 -175.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 0.2 OUTLIER -65.3 131.78 47.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.308 -0.86 . . . . 1.72 111.04 -176.593 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -153.77 99.68 2.58 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-N 115.264 -0.88 . . . . 1.68 109.676 -178.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -51.37 -32.45 42.15 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.95 2.433 . . . . 0.42 113.338 -179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -67.04 -55.09 15.87 Favored 'General case' 0 C--O 1.242 0.673 0 CA-C-O 120.698 0.285 . . . . 2.21 110.523 -178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 63.9 ttt180 -69.1 -32.4 71.79 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.673 -0.492 . . . . 3.24 109.673 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . 0.539 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 32.3 t -55.52 -51.59 66.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.919 -0.582 . . . . 1.11 110.425 176.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -70.86 -30.59 67.96 Favored Glycine 0 N--CA 1.441 -0.984 0 C-N-CA 120.272 -0.966 . . . . 0.19 111.668 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -64.61 -42.49 95.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.292 0.567 . . . . 1.54 109.82 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 65.1 mt -70.48 -35.44 73.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.076 -0.511 . . . . 1.35 110.682 177.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . 0.418 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 9.6 m-85 -66.82 -36.89 83.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.751 -0.204 . . . . 1.33 111.018 176.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 11.8 p -72.54 -36.34 68.26 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.667 -0.413 . . . . 0.31 110.326 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -63.39 -42.63 98.8 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.398 -0.593 . . . . 2.13 109.398 172.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.25 91.1 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.638 -0.71 . . . . 0.18 110.899 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.13 -37.01 84.65 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 110.393 -0.225 . . . . 0.2 110.393 178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.76 -50.85 72.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 1.84 109.927 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -65.49 -28.33 69.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.21 111.175 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -72.26 -50.46 27.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.195 -0.457 . . . . 0.16 110.815 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -66.89 -29.24 69.08 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.116 -0.328 . . . . 0.76 110.116 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -64.29 -39.04 93.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.968 -0.56 . . . . 2.58 110.299 174.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -89.61 21.53 3.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.559 -0.746 . . . . 0.45 111.287 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . 0.529 ' SD ' ' HB3' ' A' ' 631' ' ' CYS . 21.7 mmt 60.21 31.79 20.62 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.301 0.572 . . . . 2.61 111.198 176.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -106.05 71.24 0.88 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.931 -0.577 . . . . 1.59 109.876 179.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . . . . . . . . . . . -51.11 -51.68 34.53 Favored Glycine 0 CA--C 1.52 0.348 0 CA-C-N 115.496 -0.775 . . . . 0.47 113.679 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -60.72 -41.94 96.28 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 117.031 0.415 . . . . 3.9 110.987 -177.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.22 -48.19 81.1 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.843 -0.429 . . . . 1.02 109.843 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.32 -51.07 70.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.02 -0.536 . . . . 0.21 110.808 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -52.99 -52.71 57.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.867 -0.606 . . . . 1.6 110.944 176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -59.14 -55.61 32.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.098 -0.501 . . . . 1.83 111.513 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -57.6 -34.81 69.64 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 111.706 0.262 . . . . 0.44 111.706 -178.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -72.42 -42.33 65.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 119.989 -0.685 . . . . 2.95 110.117 177.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . 0.46 ' HB2' ' OH ' ' A' ' 641' ' ' TYR . 63.4 tt0 -64.26 -25.43 68.05 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.481 0.658 . . . . 1.98 110.007 176.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -83.19 -34.56 25.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.437 -0.802 . . . . 1.67 108.945 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -61.2 -48.54 81.07 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.89 -0.595 . . . . 0.25 109.782 171.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . 0.574 ' HB3' ' HB2' ' A' ' 644' ' ' ALA . 6.2 mm-40 -60.47 -43.76 96.59 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.264 -0.88 . . . . 2.16 110.818 177.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.99 -44.17 94.7 Favored 'General case' 0 C--N 1.331 -0.205 0 O-C-N 123.12 0.262 . . . . 2.2 110.519 176.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -56.61 -51.63 67.93 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.295 -0.412 . . . . 0.37 111.036 178.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . 0.437 ' O ' ' HG3' ' A' ' 723' ' ' MET . 30.4 m0 -70.36 -33.27 71.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.47 111.689 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -70.38 -36.19 73.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.52 0.2 . . . . 0.64 111.289 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -71.06 -60.33 2.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.562 -0.29 . . . . 2.38 111.523 -177.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' ' 720' ' ' TRP . 69.2 mtm 34.59 51.69 0.5 Allowed 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 113.3 0.852 . . . . 2.42 113.3 -178.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -149.13 39.16 0.83 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.175 0.512 . . . . 4.88 111.822 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . 0.528 ' O ' ' HE3' ' A' ' 684' ' ' LYS . 26.4 tt0 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.475 -0.774 . . . . 5.52 109.394 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 N-CA-C 111.611 -0.596 . . . . 15.53 111.611 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' SER . . . . . . . . . . . . . 18.1 m -119.0 127.76 53.75 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.053 -0.351 . . . . 14.35 110.053 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' HIS . . . . . 0.413 ' HB2' ' OH ' ' A' ' 656' ' ' TYR . 55.2 p-80 -107.87 117.61 34.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.041 0.448 . . . . 13.37 110.365 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -79.71 93.3 5.53 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.068 -0.514 . . . . 13.3 110.269 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' SER . . . . . . . . . . . . . 11.1 p -104.29 141.87 23.42 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.883 -0.599 . . . . 9.26 109.84 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' PRO . . . . . 0.849 ' HA ' ' SG ' ' A' ' 631' ' ' CYS . 85.9 Cg_endo -77.78 50.17 3.17 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.939 2.426 . . . . 7.14 112.263 -178.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.66 -42.91 27.35 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.8 -0.637 . . . . 7.07 111.539 -174.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -140.44 40.32 1.89 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.776 0.322 . . . . 8.95 110.885 179.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' CYS . . . . . 0.849 ' SG ' ' HA ' ' A' ' 628' ' ' PRO . 12.0 p -131.57 62.99 1.62 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.337 0.589 . . . . 4.38 110.721 179.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -114.3 -4.73 12.98 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.919 -0.582 . . . . 4.67 110.878 -178.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -81.89 -30.45 31.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.232 -0.44 . . . . 5.22 111.486 -175.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' TRP . . . . . 0.426 ' CZ3' ' HA2' ' A' ' 706' ' ' GLY . 59.5 p-90 -67.35 -24.23 65.69 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.858 -0.337 . . . . 3.28 111.406 -174.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' LEU . . . . . 0.448 ' H ' HD12 ' A' ' 635' ' ' LEU . 5.7 mp -68.11 -39.13 82.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.346 0.593 . . . . 3.12 110.142 177.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -77.55 -37.79 49.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.674 -0.694 . . . . 5.37 110.233 178.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' ALA . . . . . . . . . . . . . . . -59.71 -44.25 93.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.803 -0.635 . . . . 2.89 110.254 175.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' LEU . . . . . . . . . . . . . 20.5 tp -69.33 -19.26 63.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.646 -0.707 . . . . 2.25 111.256 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -70.09 -31.25 68.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.073 0.463 . . . . 5.62 109.978 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' TRP . . . . . . . . . . . . . 73.1 m95 -92.3 8.51 38.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.934 -0.575 . . . . 7.07 110.885 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -69.39 127.34 32.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.534 . . . . 5.5 110.569 -178.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' ASN . . . . . 0.446 ' HA ' ' OE1' ' A' ' 717' ' ' GLU . 3.4 t-20 -160.33 87.25 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.772 -0.649 . . . . 4.9 109.959 177.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 643' ' ' THR . . . . . 0.496 ' HB ' ' HB3' ' A' ' 646' ' ' GLU . 22.9 p -98.75 -12.76 20.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.198 -0.456 . . . . 4.46 111.185 178.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 644' ' ' ALA . . . . . . . . . . . . . . . 70.2 -61.4 0.46 Allowed 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 123.558 0.743 . . . . 5.98 111.449 -177.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 645' ' ' LEU . . . . . . . . . . . . . 29.9 tp -154.05 52.98 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.064 0.459 . . . . 8.01 111.005 -176.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 646' ' ' GLU . . . . . 0.496 ' HB3' ' HB ' ' A' ' 643' ' ' THR . 32.1 tt0 -126.43 140.96 52.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.775 -0.454 . . . . 8.8 109.775 176.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 647' ' ' MET . . . . . . . . . . . . . 26.8 ptm -84.13 134.1 34.6 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.974 0.416 . . . . 12.08 110.347 179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 648' ' ' THR . . . . . . . . . . . . . 25.6 p -136.58 105.94 6.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.95 -0.568 . . . . 10.68 110.632 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 649' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -130.91 72.1 1.49 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.497 0.665 . . . . 13.39 110.107 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 650' ' ' CYS . . . . . . . . . . . . . 95.0 m -143.16 62.7 1.39 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.323 -0.853 . . . . 12.15 109.147 175.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 651' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -131.37 93.59 3.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.84 -0.618 . . . . 13.19 110.686 -174.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 652' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.25 56.1 1.64 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.132 0.491 . . . . 15.45 110.596 176.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 653' ' ' GLY . . . . . . . . . . . . . . . -125.91 106.22 0.85 Allowed Glycine 0 N--CA 1.443 -0.84 0 CA-C-N 115.862 -0.608 . . . . 13.46 111.792 -179.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 654' ' ' GLY . . . . . . . . . . . . . . . -153.58 59.53 0.4 Allowed Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 111.493 -0.643 . . . . 12.43 111.493 -178.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 655' ' ' GLU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 704' ' ' MET . 2.2 mp0 -77.52 125.02 28.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.985 0.421 . . . . 10.98 110.309 -176.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 656' ' ' TYR . . . . . 0.413 ' OH ' ' HB2' ' A' ' 625' ' ' HIS . 6.1 p90 -86.87 51.39 2.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.685 0.755 . . . . 11.8 111.092 -176.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 657' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -129.53 103.08 6.68 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.243 -0.889 . . . . 7.39 109.201 178.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 658' ' ' GLY . . . . . . . . . . . . . . . 109.73 9.42 24.82 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.726 -0.75 . . . . 5.88 111.239 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 659' ' ' MET . . . . . . . . . . . . . 13.6 tpt -87.73 101.36 13.6 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.074 0.464 . . . . 3.98 110.548 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 660' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -73.69 139.95 45.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.738 -0.665 . . . . 6.1 109.379 172.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 661' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -67.75 -22.85 65.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.01 -0.541 . . . . 3.86 111.095 -171.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 662' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -99.17 93.48 2.16 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 108.978 -0.749 . . . . 3.19 108.978 170.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 663' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -73.74 122.73 7.99 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.036 1.824 . . . . 0.97 112.395 -174.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 664' ' ' ARG . . . . . 0.424 ' O ' HD13 ' A' ' 668' ' ' LEU . 79.9 mtt180 -77.05 -34.75 57.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.221 -0.445 . . . . 3.16 110.937 -179.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 665' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -62.76 -31.08 71.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.449 . . . . 0.81 111.974 -174.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 666' ' ' MET . . . . . . . . . . . . . 13.2 mmt -72.08 -36.26 69.47 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.45 -0.5 . . . . 1.17 110.614 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 667' ' ' MET . . . . . . . . . . . . . 60.1 ttp -70.63 -47.02 62.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.223 0.535 . . . . 1.2 109.573 177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 668' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 664' ' ' ARG . 10.1 mp -63.12 -36.91 85.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.434 -0.803 . . . . 0.82 110.693 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 669' ' ' ALA . . . . . . . . . . . . . . . -77.6 -34.53 53.47 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 121.089 -0.244 . . . . 0.23 110.372 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 670' ' ' ARG . . . . . . . . . . . . . 49.2 ttt180 -64.77 -42.71 94.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.809 -0.441 . . . . 3.33 109.809 175.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 671' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -66.32 -42.97 87.47 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.404 -0.591 . . . . 1.89 109.404 178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 672' ' ' ALA . . . . . 0.421 ' HB1' ' CD2' ' A' ' 693' ' ' TYR . . . -58.03 -39.52 78.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.23 110.93 174.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 673' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -63.44 -44.69 93.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.663 -0.699 . . . . 1.76 110.005 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 674' ' ' MET . . . . . . . . . . . . . 71.0 mtm -71.55 -20.42 62.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.71 -0.677 . . . . 0.79 110.554 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 675' ' ' LEU . . . . . 0.515 ' O ' ' HA ' ' A' ' 684' ' ' LYS . 3.4 mm? -85.56 -22.77 27.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.514 -0.312 . . . . 0.53 110.611 175.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 676' ' ' PHE . . . . . 0.45 ' HB2' ' OG ' ' A' ' 689' ' ' SER . 24.8 t80 -81.92 -58.61 2.9 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.949 -0.3 . . . . 0.82 110.935 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . . 21.3 p -89.61 -15.97 31.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.971 0.415 . . . . 1.45 111.545 -176.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 678' ' ' GLY . . . . . . . . . . . . . . . 83.56 165.03 37.59 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.912 -0.661 . . . . 1.4 112.313 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 679' ' ' GLY . . . . . . . . . . . . . . . 119.31 169.41 14.28 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.716 -0.754 . . . . 2.07 112.308 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 680' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 59.34 27.25 16.29 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 122.696 0.398 . . . . 5.05 111.636 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 92.01 -5.3 78.8 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.552 -0.832 . . . . 1.41 112.503 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 682' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -97.2 132.08 43.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.829 0.347 . . . . 1.38 110.393 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 683' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -91.39 135.21 33.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.092 -0.503 . . . . 2.83 109.7 175.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 684' ' ' LYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 675' ' ' LEU . 0.3 OUTLIER -59.54 133.54 56.19 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.223 0.535 . . . . 1.72 111.625 -178.547 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 685' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -154.88 101.76 2.32 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.472 -0.786 . . . . 1.68 109.362 179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 686' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.02 -31.82 55.32 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.091 2.527 . . . . 0.42 113.763 -177.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 687' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -68.87 -54.54 15.06 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.266 0.555 . . . . 2.21 110.367 -177.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 688' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -67.72 -34.65 77.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.401 -0.818 . . . . 3.24 109.521 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 689' ' ' SER . . . . . 0.45 ' OG ' ' HB2' ' A' ' 676' ' ' PHE . 25.1 t -55.52 -52.4 63.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.523 -0.762 . . . . 1.11 110.437 176.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 690' ' ' GLY . . . . . . . . . . . . . . . -69.45 -32.9 71.82 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.144 -1.026 . . . . 0.19 111.973 -178.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 691' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -63.49 -46.59 85.43 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.048 0.451 . . . . 1.54 109.891 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 692' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.13 -36.83 80.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.089 -0.505 . . . . 1.35 110.939 178.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 693' ' ' TYR . . . . . 0.421 ' CD2' ' HB1' ' A' ' 672' ' ' ALA . 5.4 m-85 -65.85 -37.73 86.96 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.607 0.241 . . . . 1.33 111.11 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 694' ' ' THR . . . . . . . . . . . . . 7.0 p -72.94 -35.75 67.05 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.572 -0.451 . . . . 0.31 110.555 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 695' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -66.81 -40.82 88.18 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.261 0.553 . . . . 2.13 109.861 174.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 696' ' ' ALA . . . . . . . . . . . . . . . -60.53 -43.21 97.38 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 115.768 -0.651 . . . . 0.18 110.623 175.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 697' ' ' ALA . . . . . . . . . . . . . . . -66.76 -33.92 76.69 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.884 0.373 . . . . 0.2 110.309 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 698' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -59.7 -48.94 79.68 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.85 -0.614 . . . . 1.84 109.799 174.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 699' ' ' ALA . . . . . . . . . . . . . . . -67.84 -25.96 65.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.21 110.926 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 700' ' ' ALA . . . . . . . . . . . . . . . -73.27 -46.31 50.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 0.16 110.83 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 701' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -71.32 -23.77 62.0 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.258 -0.275 . . . . 0.76 110.258 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 702' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -60.92 -39.47 89.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.35 0.595 . . . . 2.58 110.027 171.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 703' ' ' ALA . . . . . . . . . . . . . . . -83.68 9.84 10.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.455 -0.793 . . . . 0.45 110.302 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 704' ' ' MET . . . . . 0.407 ' HB3' ' HB2' ' A' ' 655' ' ' GLU . 97.8 mmm 59.75 32.31 21.32 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.438 -0.801 . . . . 2.61 111.186 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 705' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -102.71 80.43 1.9 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.875 -0.602 . . . . 1.59 109.966 176.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 706' ' ' GLY . . . . . 0.426 ' HA2' ' CZ3' ' A' ' 634' ' ' TRP . . . -58.34 -41.54 95.15 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.194 -0.912 . . . . 0.47 113.785 -175.023 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 707' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -62.58 -47.65 82.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 117.032 0.416 . . . . 3.9 110.981 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 708' ' ' LEU . . . . . . . . . . . . . 36.6 mt -64.87 -44.65 89.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 1.02 110.26 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 709' ' ' ALA . . . . . . . . . . . . . . . -57.39 -45.95 83.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.768 -0.651 . . . . 0.21 110.612 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 710' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -64.16 -44.63 91.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 1.6 110.267 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 711' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -56.14 -54.25 47.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.968 0.413 . . . . 1.83 110.923 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 712' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -64.9 -30.67 71.67 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.177 0.436 . . . . 0.44 112.177 -178.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 713' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -68.05 -42.6 80.27 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.343 -0.543 . . . . 2.95 109.681 171.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 714' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -61.02 -29.06 69.49 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.485 -0.78 . . . . 1.98 110.345 176.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 715' ' ' LYS . . . . . . . . . . . . . 24.9 tptm -82.85 -34.17 26.89 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.387 -0.824 . . . . 1.67 109.008 -177.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 716' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.62 81.87 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 116.036 -0.529 . . . . 0.25 109.783 172.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 717' ' ' GLU . . . . . 0.446 ' OE1' ' HA ' ' A' ' 642' ' ' ASN . 10.6 mm-40 -50.75 -53.47 31.36 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.408 -0.814 . . . . 2.16 110.182 173.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 718' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -57.83 -43.61 85.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.921 -0.581 . . . . 2.2 111.332 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 719' ' ' ALA . . . . . . . . . . . . . . . -57.55 -49.0 77.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.37 111.276 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 720' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -77.18 -28.49 54.04 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.813 -0.355 . . . . 0.47 111.728 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 721' ' ' ALA . . . . . . . . . . . . . . . -71.52 -39.46 70.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.284 -0.26 . . . . 0.64 111.582 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 722' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -59.91 -62.07 2.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.528 -0.305 . . . . 2.38 111.07 -174.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 723' ' ' MET . . . . . . . . . . . . . 60.3 mtm 24.21 51.5 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.413 1.071 . . . . 2.42 113.768 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 724' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.7 10.67 3.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.606 0.717 . . . . 4.88 110.0 176.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 725' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--O 1.246 0.913 0 CA-C-N 115.034 -0.985 . . . . 5.52 108.851 -179.056 . . . . . . . . 0 0 . 1 stop_ save_